10-icos-9-en-10-yloxyicos-9-ene

C40H78O — CID 57044989

IUPAC10-icos-9-en-10-yloxyicos-9-ene
SMILESCCCCCCCCC=C(CCCCCCCCCC)OC(=CCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C40H78O/c1-5-9-13-17-21-25-29-33-37-39(35-31-27-23-19-15-11-7-3)41-40(36-32-28-24-20-16-12-8-4)38-34-30-26-22-18-14-10-6-2/h35-36H,5-34,37-38H2,1-4H3
InChIKeyIIVWXBOQRVELSY-UHFFFAOYSA-N
MW575.06 g/mol
LogP15.33
Rot. Bonds34

About 10-icos-9-en-10-yloxyicos-9-ene

10-icos-9-en-10-yloxyicos-9-ene (PubChem CID 57044989) has the molecular formula C40H78O and a molecular weight of 575.06 g/mol. Its IUPAC name is 10-icos-9-en-10-yloxyicos-9-ene.

Molecular Properties

Compound Name10-icos-9-en-10-yloxyicos-9-ene
PubChem CID57044989
Molecular FormulaC40H78O
Molecular Weight575.06 g/mol
Exact Mass574.61
IUPAC Name10-icos-9-en-10-yloxyicos-9-ene
SMILESCCCCCCCCC=C(CCCCCCCCCC)OC(=CCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C40H78O/c1-5-9-13-17-21-25-29-33-37-39(35-31-27-23-19-15-11-7-3)41-40(36-32-28-24-20-16-12-8-4)38-34-30-26-22-18-14-10-6-2/h35-36H,5-34,37-38H2,1-4H3
InChIKeyIIVWXBOQRVELSY-UHFFFAOYSA-N
XLogP15.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.06
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis[(E)-tetradec-5-en-5-yl] butanedioate
CID 142743699
trimethyl(tridec-6-en-7-yloxy)silane
CID 71373988
6-ethyltridec-6-ene
CID 123238287
(Z)-7-ethyltetradec-7-ene
CID 134978641
dipotassium bis(4-oxo-4-tetradec-5-en-5-yloxybutanoate)
CID 157230744
(E)-4-methoxydec-4-ene
CID 134864544
7-methyloctadec-7-ene
CID 123477460
hexatriacont-17-en-18-ol
CID 173290872
(E)-10-methylnonadec-9-ene
CID 5364653
(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
CID 90470665
6-methyldocos-6-ene
CID 629460
octatriacont-11-en-12-ol
CID 156905019

Frequently Asked Questions

What is the IUPAC name of 10-icos-9-en-10-yloxyicos-9-ene?
The IUPAC name of 10-icos-9-en-10-yloxyicos-9-ene (CID 57044989) is 10-icos-9-en-10-yloxyicos-9-ene.
What is the SMILES notation for 10-icos-9-en-10-yloxyicos-9-ene?
The canonical SMILES for 10-icos-9-en-10-yloxyicos-9-ene is CCCCCCCCC=C(CCCCCCCCCC)OC(=CCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 10-icos-9-en-10-yloxyicos-9-ene?
The InChIKey is IIVWXBOQRVELSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H78O/c1-5-9-13-17-21-25-29-33-37-39(35-31-27-23-19-15-11-7-3)41-40(36-32-28-24-20-16-12-8-4)38-34-30-26-22-18-14-10-6-2/h35-36H,5-34,37-38H2,1-4H3.
What are the key properties of 10-icos-9-en-10-yloxyicos-9-ene?
10-icos-9-en-10-yloxyicos-9-ene has a molecular weight of 575.06 g/mol, XLogP of 15.33, 34 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-icos-9-en-10-yloxyicos-9-ene is sourced from PubChem (CID 57044989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).