(1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one

C16H20O2 — CID 101216581

IUPAC(1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one
SMILESCC1=CC(=O)[C@]23C[C@@H]4C=CC[C@@H]4[C@H]2[C@@H](O)C[C@@H]3C1
InChIInChI=1S/C16H20O2/c1-9-5-11-7-13(17)15-12-4-2-3-10(12)8-16(11,15)14(18)6-9/h2-3,6,10-13,15,17H,4-5,7-8H2,1H3/t10-,11-,12-,13-,15-,16+/m0/s1
InChIKeyUHSUYNTWJIFBAD-JKPJVAMOSA-N
MW244.33 g/mol
LogP2.48
Rot. Bonds

About (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one

(1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one (PubChem CID 101216581) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one.

Molecular Properties

Compound Name(1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one
PubChem CID101216581
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one
SMILESCC1=CC(=O)[C@]23C[C@@H]4C=CC[C@@H]4[C@H]2[C@@H](O)C[C@@H]3C1
InChIInChI=1S/C16H20O2/c1-9-5-11-7-13(17)15-12-4-2-3-10(12)8-16(11,15)14(18)6-9/h2-3,6,10-13,15,17H,4-5,7-8H2,1H3/t10-,11-,12-,13-,15-,16+/m0/s1
InChIKeyUHSUYNTWJIFBAD-JKPJVAMOSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one with MolForge

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Related Compounds

Conidiogenone C
CID 25194901
(1S,2R,4S,5S)-2-hydroxy-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]dec-8-en-7-one
CID 10633587
19alpha-hydroxyconidiogenone C
CID 156580953
Cucumin F
CID 10752178
Hirsutenol B
CID 11021310
Hirsutenol C
CID 21672080
Anhydroarthrosporone
CID 156583105
Conidiogenone G
CID 25223314
Phomalairdenone C
CID 21668643
Conidiogenone F
CID 25223313
Conidiogenone E
CID 25223317
Phomalairdenone A
CID 100996461

Frequently Asked Questions

What is the IUPAC name of (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one?
The IUPAC name of (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one (CID 101216581) is (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one.
What is the SMILES notation for (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one?
The canonical SMILES for (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one is CC1=CC(=O)[C@]23C[C@@H]4C=CC[C@@H]4[C@H]2[C@@H](O)C[C@@H]3C1.
What is the InChIKey of (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one?
The InChIKey is UHSUYNTWJIFBAD-JKPJVAMOSA-N. The full InChI is InChI=1S/C16H20O2/c1-9-5-11-7-13(17)15-12-4-2-3-10(12)8-16(11,15)14(18)6-9/h2-3,6,10-13,15,17H,4-5,7-8H2,1H3/t10-,11-,12-,13-,15-,16+/m0/s1.
What are the key properties of (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one?
(1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one has a molecular weight of 244.33 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,8S,9R,10S,14R)-8-hydroxy-4-methyltetracyclo[7.6.0.01,6.010,14]pentadeca-3,12-dien-2-one is sourced from PubChem (CID 101216581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).