1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone

C9H14O2 — CID 15600203

IUPAC1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone
SMILESC=C1CC[C@@H](C(C)=O)C[C@H]1O
InChIInChI=1S/C9H14O2/c1-6-3-4-8(7(2)10)5-9(6)11/h8-9,11H,1,3-5H2,2H3/t8-,9-/m1/s1
InChIKeyIUZYGGBTACWBKN-RKDXNWHRSA-N
MW154.21 g/mol
LogP1.29
Rot. Bonds1

About 1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone

1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone (PubChem CID 15600203) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone
PubChem CID15600203
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone
SMILESC=C1CC[C@@H](C(C)=O)C[C@H]1O
InChIInChI=1S/C9H14O2/c1-6-3-4-8(7(2)10)5-9(6)11/h8-9,11H,1,3-5H2,2H3/t8-,9-/m1/s1
InChIKeyIUZYGGBTACWBKN-RKDXNWHRSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone?
The IUPAC name of 1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone (CID 15600203) is 1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone is C=C1CC[C@@H](C(C)=O)C[C@H]1O.
What is the InChIKey of 1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone?
The InChIKey is IUZYGGBTACWBKN-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-3-4-8(7(2)10)5-9(6)11/h8-9,11H,1,3-5H2,2H3/t8-,9-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone?
1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone has a molecular weight of 154.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone is sourced from PubChem (CID 15600203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).