(Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene

C39H78 — CID 174139015

IUPAC(Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene
SMILESCCCCC/C=C\CC(C)CCCCCCCCC(CC)CCCCCCCCC(C)CC(C)CCCCC
InChIInChI=1S/C39H78/c1-7-10-12-13-18-24-29-36(4)30-25-19-14-16-21-27-33-39(9-3)34-28-22-17-15-20-26-32-38(6)35-37(5)31-23-11-8-2/h18,24,36-39H,7-17,19-23,25-35H2,1-6H3/b24-18-
InChIKeyQTOREOOPQQLVGY-MOHJPFBDSA-N
MW547.05 g/mol
LogP14.66
Rot. Bonds31

About (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene

(Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene (PubChem CID 174139015) has the molecular formula C39H78 and a molecular weight of 547.05 g/mol. Its IUPAC name is (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene.

Molecular Properties

Compound Name(Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene
PubChem CID174139015
Molecular FormulaC39H78
Molecular Weight547.05 g/mol
Exact Mass546.61
IUPAC Name(Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene
SMILESCCCCC/C=C\CC(C)CCCCCCCCC(CC)CCCCCCCCC(C)CC(C)CCCCC
InChIInChI=1S/C39H78/c1-7-10-12-13-18-24-29-36(4)30-25-19-14-16-21-27-33-39(9-3)34-28-22-17-15-20-26-32-38(6)35-37(5)31-23-11-8-2/h18,24,36-39H,7-17,19-23,25-35H2,1-6H3/b24-18-
InChIKeyQTOREOOPQQLVGY-MOHJPFBDSA-N
XLogP14.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.05
LogP ≤ 514.66
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 (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene with MolForge

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

Launch Full Analysis

Related Compounds

(E)-13-ethyl-7-methylnonadec-9-ene
CID 173194422
(E)-10-methyloctadec-7-ene
CID 173194246
(E)-5-methyltetradec-7-ene
CID 173194503
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
(E)-19-ethylhexacos-12-ene
CID 173194168
16-ethyldocos-10-ene
CID 91389222
9,16-dimethyltetracos-11-ene
CID 123705440
8-methyltridec-5-ene
CID 123857568
(E)-5,22-diethylhexacos-11-ene
CID 173194569
3-methyltetradec-5-en-1-ol
CID 141478890
10-ethyl-5,16,18-trimethylicos-2-ene
CID 123901868

Frequently Asked Questions

What is the IUPAC name of (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene?
The IUPAC name of (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene (CID 174139015) is (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene.
What is the SMILES notation for (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene?
The canonical SMILES for (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene is CCCCC/C=C\CC(C)CCCCCCCCC(CC)CCCCCCCCC(C)CC(C)CCCCC.
What is the InChIKey of (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene?
The InChIKey is QTOREOOPQQLVGY-MOHJPFBDSA-N. The full InChI is InChI=1S/C39H78/c1-7-10-12-13-18-24-29-36(4)30-25-19-14-16-21-27-33-39(9-3)34-28-22-17-15-20-26-32-38(6)35-37(5)31-23-11-8-2/h18,24,36-39H,7-17,19-23,25-35H2,1-6H3/b24-18-.
What are the key properties of (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene?
(Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene has a molecular weight of 547.05 g/mol, XLogP of 14.66, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene is sourced from PubChem (CID 174139015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).