11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene

C172H356 — CID 158490711

IUPAC11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene
SMILESCCCCCCCC/C=C/CCCCCCCCC.CCCCCCCCC=CC(CC)CCCCCCCCCC.CCCCCCCCC=CC(CC)CCCCCCCCCCCC.CCCCCCCCCCCC(C)CC.CCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C25H50.C23H46.C20H42.C19H40.C19H38.C18H38.C17H36.C16H34.C15H32/c1-4-7-9-11-13-15-16-18-20-22-24-25(6-3)23-21-19-17-14-12-10-8-5-2;1-4-7-9-11-13-15-17-19-21-23(6-3)22-20-18-16-14-12-10-8-5-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h21,23,25H,4-20,22,24H2,1-3H3;19,21,23H,4-18,20,22H2,1-3H3;20H,4-19H2,1-3H3;19H,4-18H2,1-3H3;17,19H,3-16,18H2,1-2H3;18H,4-17H2,1-3H3;17H,4-16H2,1-3H3;16H,4-15H2,1-3H3;15H,4-14H2,1-3H3/b;;;;19-17+;;;;
InChIKeyHIQTXBVEHRPKDQ-VSCACLOUSA-N
MW2424.74 g/mol
LogP67.49
Rot. Bonds134

About 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene

11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene (PubChem CID 158490711) has the molecular formula C172H356 and a molecular weight of 2424.74 g/mol. Its IUPAC name is 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene.

Molecular Properties

Compound Name11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene
PubChem CID158490711
Molecular FormulaC172H356
Molecular Weight2424.74 g/mol
Exact Mass2422.79
IUPAC Name11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene
SMILESCCCCCCCC/C=C/CCCCCCCCC.CCCCCCCCC=CC(CC)CCCCCCCCCC.CCCCCCCCC=CC(CC)CCCCCCCCCCCC.CCCCCCCCCCCC(C)CC.CCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C25H50.C23H46.C20H42.C19H40.C19H38.C18H38.C17H36.C16H34.C15H32/c1-4-7-9-11-13-15-16-18-20-22-24-25(6-3)23-21-19-17-14-12-10-8-5-2;1-4-7-9-11-13-15-17-19-21-23(6-3)22-20-18-16-14-12-10-8-5-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h21,23,25H,4-20,22,24H2,1-3H3;19,21,23H,4-18,20,22H2,1-3H3;20H,4-19H2,1-3H3;19H,4-18H2,1-3H3;17,19H,3-16,18H2,1-2H3;18H,4-17H2,1-3H3;17H,4-16H2,1-3H3;16H,4-15H2,1-3H3;15H,4-14H2,1-3H3/b;;;;19-17+;;;;
InChIKeyHIQTXBVEHRPKDQ-VSCACLOUSA-N
XLogP67.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds134
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002424.74
LogP ≤ 567.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene?
The IUPAC name of 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene (CID 158490711) is 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene.
What is the SMILES notation for 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene?
The canonical SMILES for 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene is CCCCCCCC/C=C/CCCCCCCCC.CCCCCCCCC=CC(CC)CCCCCCCCCC.CCCCCCCCC=CC(CC)CCCCCCCCCCCC.CCCCCCCCCCCC(C)CC.CCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCCCC(C)CC.CCCCCCCCCCCCCCCCC(C)CC.
What is the InChIKey of 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene?
The InChIKey is HIQTXBVEHRPKDQ-VSCACLOUSA-N. The full InChI is InChI=1S/C25H50.C23H46.C20H42.C19H40.C19H38.C18H38.C17H36.C16H34.C15H32/c1-4-7-9-11-13-15-16-18-20-22-24-25(6-3)23-21-19-17-14-12-10-8-5-2;1-4-7-9-11-13-15-17-19-21-23(6-3)22-20-18-16-14-12-10-8-5-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2;1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h21,23,25H,4-20,22,24H2,1-3H3;19,21,23H,4-18,20,22H2,1-3H3;20H,4-19H2,1-3H3;19H,4-18H2,1-3H3;17,19H,3-16,18H2,1-2H3;18H,4-17H2,1-3H3;17H,4-16H2,1-3H3;16H,4-15H2,1-3H3;15H,4-14H2,1-3H3/b;;;;19-17+;;;;.
What are the key properties of 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene?
11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene has a molecular weight of 2424.74 g/mol, XLogP of 67.49, 134 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene is sourced from PubChem (CID 158490711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).