(7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol

C24H32O — CID 139797053

IUPAC(7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol
SMILESCC1C(CO)C2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31
InChIInChI=1S/C24H32O/c1-9-12-5-13(18(9)8-25)22-17-7-16(21(12)22)23-14-6-15(24(17)23)20-11-3-2-10(4-11)19(14)20/h2-3,9-25H,4-8H2,1H3
InChIKeyCHGJAESJMFPCCZ-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.08
Rot. Bonds1

About (7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol

(7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol (PubChem CID 139797053) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is (7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol.

Molecular Properties

Compound Name(7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol
PubChem CID139797053
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name(7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol
SMILESCC1C(CO)C2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31
InChIInChI=1S/C24H32O/c1-9-12-5-13(18(9)8-25)22-17-7-16(21(12)22)23-14-6-15(24(17)23)20-11-3-2-10(4-11)19(14)20/h2-3,9-25H,4-8H2,1H3
InChIKeyCHGJAESJMFPCCZ-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol?
The IUPAC name of (7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol (CID 139797053) is (7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol.
What is the SMILES notation for (7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol?
The canonical SMILES for (7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol is CC1C(CO)C2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31.
What is the InChIKey of (7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol?
The InChIKey is CHGJAESJMFPCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-9-12-5-13(18(9)8-25)22-17-7-16(21(12)22)23-14-6-15(24(17)23)20-11-3-2-10(4-11)19(14)20/h2-3,9-25H,4-8H2,1H3.
What are the key properties of (7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol?
(7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol has a molecular weight of 336.52 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl)methanol is sourced from PubChem (CID 139797053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).