(4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol

C15H24O2 — CID 122706113

IUPAC(4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol
SMILESCC1=CC[C@@](C)([C@@]2(C)CC(O)CC23CO3)CC1
InChIInChI=1S/C15H24O2/c1-11-4-6-13(2,7-5-11)14(3)8-12(16)9-15(14)10-17-15/h4,12,16H,5-10H2,1-3H3/t12?,13-,14-,15?/m1/s1
InChIKeyOUMLCLRVFWXQRX-PIOWNMBXSA-N
MW236.35 g/mol
LogP3.05
Rot. Bonds1

About (4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol

(4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol (PubChem CID 122706113) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol.

Molecular Properties

Compound Name(4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol
PubChem CID122706113
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol
SMILESCC1=CC[C@@](C)([C@@]2(C)CC(O)CC23CO3)CC1
InChIInChI=1S/C15H24O2/c1-11-4-6-13(2,7-5-11)14(3)8-12(16)9-15(14)10-17-15/h4,12,16H,5-10H2,1-3H3/t12?,13-,14-,15?/m1/s1
InChIKeyOUMLCLRVFWXQRX-PIOWNMBXSA-N
XLogP3.05
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol?
The IUPAC name of (4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol (CID 122706113) is (4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol.
What is the SMILES notation for (4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol?
The canonical SMILES for (4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol is CC1=CC[C@@](C)([C@@]2(C)CC(O)CC23CO3)CC1.
What is the InChIKey of (4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol?
The InChIKey is OUMLCLRVFWXQRX-PIOWNMBXSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-4-6-13(2,7-5-11)14(3)8-12(16)9-15(14)10-17-15/h4,12,16H,5-10H2,1-3H3/t12?,13-,14-,15?/m1/s1.
What are the key properties of (4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol?
(4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol has a molecular weight of 236.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol is sourced from PubChem (CID 122706113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).