(E,11S)-11-methyltricos-9-ene

C24H48 — CID 163215390

IUPAC(E,11S)-11-methyltricos-9-ene
SMILESCCCCCCCC/C=C/[C@@H](C)CCCCCCCCCCCC
InChIInChI=1S/C24H48/c1-4-6-8-10-12-14-15-17-19-21-23-24(3)22-20-18-16-13-11-9-7-5-2/h20,22,24H,4-19,21,23H2,1-3H3/b22-20+/t24-/m1/s1
InChIKeySMGOYLXYRNPVEC-PPEFQKSUSA-N
MW336.65 g/mol
LogP9.24
Rot. Bonds19

About (E,11S)-11-methyltricos-9-ene

(E,11S)-11-methyltricos-9-ene (PubChem CID 163215390) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is (E,11S)-11-methyltricos-9-ene.

Molecular Properties

Compound Name(E,11S)-11-methyltricos-9-ene
PubChem CID163215390
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name(E,11S)-11-methyltricos-9-ene
SMILESCCCCCCCC/C=C/[C@@H](C)CCCCCCCCCCCC
InChIInChI=1S/C24H48/c1-4-6-8-10-12-14-15-17-19-21-23-24(3)22-20-18-16-13-11-9-7-5-2/h20,22,24H,4-19,21,23H2,1-3H3/b22-20+/t24-/m1/s1
InChIKeySMGOYLXYRNPVEC-PPEFQKSUSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 59.24
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'}

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Related Compounds

(E)-10-methylheptadec-8-ene
CID 10923034
7-methylhexadec-5-ene
CID 150059561
5-methylpentadec-6-ene
CID 123440014
5-methyldodec-6-ene
CID 86165480
(E)-7-methyl-1-propoxyoctadec-8-ene
CID 126586442
(E)-3-methylundec-4-en-1-ol
CID 121006781
9-methylnonadec-10-enoic acid
CID 57288184
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
(E)-5-methyldodec-3-ene
CID 173194511
3-methyltetradec-4-ene
CID 123180851
5,10-dimethylhexadec-8-ene
CID 91557751
[(E)-7-methyloctadec-8-enoxy]methanamine
CID 155014981

Frequently Asked Questions

What is the IUPAC name of (E,11S)-11-methyltricos-9-ene?
The IUPAC name of (E,11S)-11-methyltricos-9-ene (CID 163215390) is (E,11S)-11-methyltricos-9-ene.
What is the SMILES notation for (E,11S)-11-methyltricos-9-ene?
The canonical SMILES for (E,11S)-11-methyltricos-9-ene is CCCCCCCC/C=C/[C@@H](C)CCCCCCCCCCCC.
What is the InChIKey of (E,11S)-11-methyltricos-9-ene?
The InChIKey is SMGOYLXYRNPVEC-PPEFQKSUSA-N. The full InChI is InChI=1S/C24H48/c1-4-6-8-10-12-14-15-17-19-21-23-24(3)22-20-18-16-13-11-9-7-5-2/h20,22,24H,4-19,21,23H2,1-3H3/b22-20+/t24-/m1/s1.
What are the key properties of (E,11S)-11-methyltricos-9-ene?
(E,11S)-11-methyltricos-9-ene has a molecular weight of 336.65 g/mol, XLogP of 9.24, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,11S)-11-methyltricos-9-ene is sourced from PubChem (CID 163215390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).