cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol

C15H26O2 — CID 11436359

IUPACcis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol
SMILESC=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CO
InChIInChI=1S/C15H26O2/c1-11(9-10-16)5-7-13-12(2)6-8-14(17)15(13,3)4/h9,13-14,16-17H,2,5-8,10H2,1,3-4H3/b11-9+/t13-,14+/m1/s1
InChIKeyCPESJRIILXBEOJ-CACDNMLQSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds4

About cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol

cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol (PubChem CID 11436359) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol
PubChem CID11436359
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namecis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol
SMILESC=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CO
InChIInChI=1S/C15H26O2/c1-11(9-10-16)5-7-13-12(2)6-8-14(17)15(13,3)4/h9,13-14,16-17H,2,5-8,10H2,1,3-4H3/b11-9+/t13-,14+/m1/s1
InChIKeyCPESJRIILXBEOJ-CACDNMLQSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
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 cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol (CID 11436359) is cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol is C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CO.
What is the InChIKey of cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol?
The InChIKey is CPESJRIILXBEOJ-CACDNMLQSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(9-10-16)5-7-13-12(2)6-8-14(17)15(13,3)4/h9,13-14,16-17H,2,5-8,10H2,1,3-4H3/b11-9+/t13-,14+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol?
cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 11436359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).