(1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one

C15H22O2 — CID 15433007

IUPAC(1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one
SMILESCC1C(=O)C2C3C4CC(C)(C)[C@@H](O)[C@@H]4[C@]1(C)C23
InChIInChI=1S/C15H22O2/c1-6-12(16)9-8-7-5-14(2,3)13(17)10(7)15(6,4)11(8)9/h6-11,13,17H,5H2,1-4H3/t6?,7?,8?,9?,10-,11?,13+,15-/m1/s1
InChIKeyZKPZXKYXUQIUGX-XZPFBZEISA-N
MW234.34 g/mol
LogP2.11
Rot. Bonds

About (1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one

(1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one (PubChem CID 15433007) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one.

Molecular Properties

Compound Name(1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one
PubChem CID15433007
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one
SMILESCC1C(=O)C2C3C4CC(C)(C)[C@@H](O)[C@@H]4[C@]1(C)C23
InChIInChI=1S/C15H22O2/c1-6-12(16)9-8-7-5-14(2,3)13(17)10(7)15(6,4)11(8)9/h6-11,13,17H,5H2,1-4H3/t6?,7?,8?,9?,10-,11?,13+,15-/m1/s1
InChIKeyZKPZXKYXUQIUGX-XZPFBZEISA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24939735
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CID 99845168
(1S,2S,3R,5S,6S,7S,8R)-7-bromo-6-methylpentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-one
CID 146031405
(1S,2R,3R,4R,5S,7R,8R,9S,10R)-4-methoxy-2-methylpentacyclo[6.4.0.02,10.03,7.05,9]dodecan-6-one
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(3aS,4S,7aR)-4-hydroxy-3a,5,5-trimethyl-1,3,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalen-2-one
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Frequently Asked Questions

What is the IUPAC name of (1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one?
The IUPAC name of (1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one (CID 15433007) is (1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one.
What is the SMILES notation for (1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one?
The canonical SMILES for (1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one is CC1C(=O)C2C3C4CC(C)(C)[C@@H](O)[C@@H]4[C@]1(C)C23.
What is the InChIKey of (1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one?
The InChIKey is ZKPZXKYXUQIUGX-XZPFBZEISA-N. The full InChI is InChI=1S/C15H22O2/c1-6-12(16)9-8-7-5-14(2,3)13(17)10(7)15(6,4)11(8)9/h6-11,13,17H,5H2,1-4H3/t6?,7?,8?,9?,10-,11?,13+,15-/m1/s1.
What are the key properties of (1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one?
(1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one has a molecular weight of 234.34 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,8S,9S)-9-hydroxy-6,7,10,10-tetramethyltetracyclo[6.3.0.02,4.03,7]undecan-5-one is sourced from PubChem (CID 15433007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).