(14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one

C20H30O2 — CID 154715767

IUPAC(14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one
SMILESC[C@@H]1CC23CCC4C(C)(C)CCC(O)C4(C)C2=CC(=O)C1C3
InChIInChI=1S/C20H30O2/c1-12-10-20-8-5-15-18(2,3)7-6-17(22)19(15,4)16(20)9-14(21)13(12)11-20/h9,12-13,15,17,22H,5-8,10-11H2,1-4H3/t12-,13?,15?,17?,19?,20?/m1/s1
InChIKeyOMLXKAWHBVPCQQ-ZNJWSZRTSA-N
MW302.46 g/mol
LogP4.13
Rot. Bonds

About (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one

(14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one (PubChem CID 154715767) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one.

Molecular Properties

Compound Name(14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one
PubChem CID154715767
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one
SMILESC[C@@H]1CC23CCC4C(C)(C)CCC(O)C4(C)C2=CC(=O)C1C3
InChIInChI=1S/C20H30O2/c1-12-10-20-8-5-15-18(2,3)7-6-17(22)19(15,4)16(20)9-14(21)13(12)11-20/h9,12-13,15,17,22H,5-8,10-11H2,1-4H3/t12-,13?,15?,17?,19?,20?/m1/s1
InChIKeyOMLXKAWHBVPCQQ-ZNJWSZRTSA-N
XLogP4.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one with MolForge

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Related Compounds

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(1S,2S,7S,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-4-en-3-one
CID 21124009
(1S,2S,3S,7R,8S)-3-hydroxy-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one
CID 162957422
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
(1R,2R,4R,8S,9S,10S,13R,16S)-2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
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(1S,2S,3S,5S,8S,9S,11R,15R,16R,18R)-3,15,18-trihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
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Frequently Asked Questions

What is the IUPAC name of (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one?
The IUPAC name of (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one (CID 154715767) is (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one.
What is the SMILES notation for (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one?
The canonical SMILES for (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one is C[C@@H]1CC23CCC4C(C)(C)CCC(O)C4(C)C2=CC(=O)C1C3.
What is the InChIKey of (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one?
The InChIKey is OMLXKAWHBVPCQQ-ZNJWSZRTSA-N. The full InChI is InChI=1S/C20H30O2/c1-12-10-20-8-5-15-18(2,3)7-6-17(22)19(15,4)16(20)9-14(21)13(12)11-20/h9,12-13,15,17,22H,5-8,10-11H2,1-4H3/t12-,13?,15?,17?,19?,20?/m1/s1.
What are the key properties of (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one?
(14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one has a molecular weight of 302.46 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one is sourced from PubChem (CID 154715767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).