(E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol

C12H22O — CID 10932113

IUPAC(E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol
SMILES[2H]C([2H])(O)/C(C)=C/CCC1CCCCC1
InChIInChI=1S/C12H22O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h6,12-13H,2-5,7-10H2,1H3/b11-6+/i10D2
InChIKeyVMHFRALCFXVQIY-QRDLXZQUSA-N
MW184.32 g/mol
LogP3.29
Rot. Bonds4

About (E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol

(E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol (PubChem CID 10932113) has the molecular formula C12H22O and a molecular weight of 184.32 g/mol. Its IUPAC name is (E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol
PubChem CID10932113
Molecular FormulaC12H22O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol
SMILES[2H]C([2H])(O)/C(C)=C/CCC1CCCCC1
InChIInChI=1S/C12H22O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h6,12-13H,2-5,7-10H2,1H3/b11-6+/i10D2
InChIKeyVMHFRALCFXVQIY-QRDLXZQUSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.29
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 (E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol?
The IUPAC name of (E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol (CID 10932113) is (E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol.
What is the SMILES notation for (E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol?
The canonical SMILES for (E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol is [2H]C([2H])(O)/C(C)=C/CCC1CCCCC1.
What is the InChIKey of (E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol?
The InChIKey is VMHFRALCFXVQIY-QRDLXZQUSA-N. The full InChI is InChI=1S/C12H22O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h6,12-13H,2-5,7-10H2,1H3/b11-6+/i10D2.
What are the key properties of (E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol?
(E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclohexyl-1,1-dideuterio-2-methylpent-2-en-1-ol is sourced from PubChem (CID 10932113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).