7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol

C23H30O — CID 139797176

IUPAC7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol
SMILESCC1C(O)C2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31
InChIInChI=1S/C23H30O/c1-8-11-5-16(23(8)24)22-15-7-14(19(11)22)20-12-6-13(21(15)20)18-10-3-2-9(4-10)17(12)18/h2-3,8-24H,4-7H2,1H3
InChIKeySYFWFHKSDDRGFT-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.84
Rot. Bonds

About 7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol

7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol (PubChem CID 139797176) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol.

Molecular Properties

Compound Name7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol
PubChem CID139797176
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol
SMILESCC1C(O)C2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31
InChIInChI=1S/C23H30O/c1-8-11-5-16(23(8)24)22-15-7-14(19(11)22)20-12-6-13(21(15)20)18-10-3-2-9(4-10)17(12)18/h2-3,8-24H,4-7H2,1H3
InChIKeySYFWFHKSDDRGFT-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.84
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-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol?
The IUPAC name of 7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol (CID 139797176) is 7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol.
What is the SMILES notation for 7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol?
The canonical SMILES for 7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol is CC1C(O)C2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31.
What is the InChIKey of 7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol?
The InChIKey is SYFWFHKSDDRGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-8-11-5-16(23(8)24)22-15-7-14(19(11)22)20-12-6-13(21(15)20)18-10-3-2-9(4-10)17(12)18/h2-3,8-24H,4-7H2,1H3.
What are the key properties of 7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol?
7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol has a molecular weight of 322.49 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol is sourced from PubChem (CID 139797176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).