(3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol

C15H24O — CID 122706455

IUPAC(3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol
SMILESC=C1CC(O)C[C@]1(C)[C@]1(C)CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-11-5-7-14(3,8-6-11)15(4)10-13(16)9-12(15)2/h5,13,16H,2,6-10H2,1,3-4H3/t13?,14-,15+/m1/s1
InChIKeyAFQODABBNISGQW-DMJDIKPUSA-N
MW220.36 g/mol
LogP3.84
Rot. Bonds1

About (3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol

(3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol (PubChem CID 122706455) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name(3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol
PubChem CID122706455
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol
SMILESC=C1CC(O)C[C@]1(C)[C@]1(C)CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-11-5-7-14(3,8-6-11)15(4)10-13(16)9-12(15)2/h5,13,16H,2,6-10H2,1,3-4H3/t13?,14-,15+/m1/s1
InChIKeyAFQODABBNISGQW-DMJDIKPUSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol?
The IUPAC name of (3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol (CID 122706455) is (3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol.
What is the SMILES notation for (3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol?
The canonical SMILES for (3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol is C=C1CC(O)C[C@]1(C)[C@]1(C)CC=C(C)CC1.
What is the InChIKey of (3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol?
The InChIKey is AFQODABBNISGQW-DMJDIKPUSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-7-14(3,8-6-11)15(4)10-13(16)9-12(15)2/h5,13,16H,2,6-10H2,1,3-4H3/t13?,14-,15+/m1/s1.
What are the key properties of (3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol?
(3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-methyl-4-methylidenecyclopentan-1-ol is sourced from PubChem (CID 122706455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).