9-methyloctadec-10-enylcyclobutane

C23H44 — CID 123534586

IUPAC9-methyloctadec-10-enylcyclobutane
SMILESCCCCCCCC=CC(C)CCCCCCCCC1CCC1
InChIInChI=1S/C23H44/c1-3-4-5-6-7-10-13-17-22(2)18-14-11-8-9-12-15-19-23-20-16-21-23/h13,17,22-23H,3-12,14-16,18-21H2,1-2H3
InChIKeyLBXZOPXGXXLPTE-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.46
Rot. Bonds16

About 9-methyloctadec-10-enylcyclobutane

9-methyloctadec-10-enylcyclobutane (PubChem CID 123534586) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 9-methyloctadec-10-enylcyclobutane.

Molecular Properties

Compound Name9-methyloctadec-10-enylcyclobutane
PubChem CID123534586
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name9-methyloctadec-10-enylcyclobutane
SMILESCCCCCCCC=CC(C)CCCCCCCCC1CCC1
InChIInChI=1S/C23H44/c1-3-4-5-6-7-10-13-17-22(2)18-14-11-8-9-12-15-19-23-20-16-21-23/h13,17,22-23H,3-12,14-16,18-21H2,1-2H3
InChIKeyLBXZOPXGXXLPTE-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.46
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,11S)-11-methyltricos-9-ene
CID 163215390
(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)-7-methyloctadec-8-enoxy]methanamine
CID 155014981
(E)-3-methylundec-4-en-1-ol
CID 121006781
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746
9-methylnonadec-10-enoic acid
CID 57288184
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
(E)-5-methyldodec-3-ene
CID 173194511

Frequently Asked Questions

What is the IUPAC name of 9-methyloctadec-10-enylcyclobutane?
The IUPAC name of 9-methyloctadec-10-enylcyclobutane (CID 123534586) is 9-methyloctadec-10-enylcyclobutane.
What is the SMILES notation for 9-methyloctadec-10-enylcyclobutane?
The canonical SMILES for 9-methyloctadec-10-enylcyclobutane is CCCCCCCC=CC(C)CCCCCCCCC1CCC1.
What is the InChIKey of 9-methyloctadec-10-enylcyclobutane?
The InChIKey is LBXZOPXGXXLPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-3-4-5-6-7-10-13-17-22(2)18-14-11-8-9-12-15-19-23-20-16-21-23/h13,17,22-23H,3-12,14-16,18-21H2,1-2H3.
What are the key properties of 9-methyloctadec-10-enylcyclobutane?
9-methyloctadec-10-enylcyclobutane has a molecular weight of 320.61 g/mol, XLogP of 8.46, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyloctadec-10-enylcyclobutane is sourced from PubChem (CID 123534586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).