5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol

C12H24O — CID 87088390

IUPAC5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol
SMILESC=C(CC(C)(C)C)C(CO)C(C)C
InChIInChI=1S/C12H24O/c1-9(2)11(8-13)10(3)7-12(4,5)6/h9,11,13H,3,7-8H2,1-2,4-6H3
InChIKeyDYGLIBUKXSZCSD-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.24
Rot. Bonds4

About 5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol

5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol (PubChem CID 87088390) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol
PubChem CID87088390
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol
SMILESC=C(CC(C)(C)C)C(CO)C(C)C
InChIInChI=1S/C12H24O/c1-9(2)11(8-13)10(3)7-12(4,5)6/h9,11,13H,3,7-8H2,1-2,4-6H3
InChIKeyDYGLIBUKXSZCSD-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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 5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol?
The IUPAC name of 5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol (CID 87088390) is 5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol.
What is the SMILES notation for 5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol?
The canonical SMILES for 5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol is C=C(CC(C)(C)C)C(CO)C(C)C.
What is the InChIKey of 5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol?
The InChIKey is DYGLIBUKXSZCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)11(8-13)10(3)7-12(4,5)6/h9,11,13H,3,7-8H2,1-2,4-6H3.
What are the key properties of 5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol?
5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-methylidene-2-propan-2-ylhexan-1-ol is sourced from PubChem (CID 87088390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).