(E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol

C13H24O — CID 10899610

IUPAC(E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol
SMILES[2H]C([2H])(O)/C(C)=C/CCCC1CCCCC1
InChIInChI=1S/C13H24O/c1-12(11-14)7-5-6-10-13-8-3-2-4-9-13/h7,13-14H,2-6,8-11H2,1H3/b12-7+/i11D2
InChIKeyQJJMMKNIBMKMIG-IJRQOSBASA-N
MW198.35 g/mol
LogP3.68
Rot. Bonds5

About (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol

(E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol (PubChem CID 10899610) has the molecular formula C13H24O and a molecular weight of 198.35 g/mol. Its IUPAC name is (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol
PubChem CID10899610
Molecular FormulaC13H24O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol
SMILES[2H]C([2H])(O)/C(C)=C/CCCC1CCCCC1
InChIInChI=1S/C13H24O/c1-12(11-14)7-5-6-10-13-8-3-2-4-9-13/h7,13-14H,2-6,8-11H2,1H3/b12-7+/i11D2
InChIKeyQJJMMKNIBMKMIG-IJRQOSBASA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol?
The IUPAC name of (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol (CID 10899610) is (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol.
What is the SMILES notation for (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol?
The canonical SMILES for (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol is [2H]C([2H])(O)/C(C)=C/CCCC1CCCCC1.
What is the InChIKey of (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol?
The InChIKey is QJJMMKNIBMKMIG-IJRQOSBASA-N. The full InChI is InChI=1S/C13H24O/c1-12(11-14)7-5-6-10-13-8-3-2-4-9-13/h7,13-14H,2-6,8-11H2,1H3/b12-7+/i11D2.
What are the key properties of (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol?
(E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-cyclohexyl-1,1-dideuterio-2-methylhex-2-en-1-ol is sourced from PubChem (CID 10899610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).