5-methyl-4-methylidenehexan-3-ol

C8H16O — CID 12036610

IUPAC5-methyl-4-methylidenehexan-3-ol
SMILESC=C(C(C)C)C(O)CC
InChIInChI=1S/C8H16O/c1-5-8(9)7(4)6(2)3/h6,8-9H,4-5H2,1-3H3
InChIKeyVCGNHFNDKSMFCB-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds3

About 5-methyl-4-methylidenehexan-3-ol

5-methyl-4-methylidenehexan-3-ol (PubChem CID 12036610) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 5-methyl-4-methylidenehexan-3-ol.

Molecular Properties

Compound Name5-methyl-4-methylidenehexan-3-ol
PubChem CID12036610
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name5-methyl-4-methylidenehexan-3-ol
SMILESC=C(C(C)C)C(O)CC
InChIInChI=1S/C8H16O/c1-5-8(9)7(4)6(2)3/h6,8-9H,4-5H2,1-3H3
InChIKeyVCGNHFNDKSMFCB-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
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-methyl-4-methylidenehexan-3-ol?
The IUPAC name of 5-methyl-4-methylidenehexan-3-ol (CID 12036610) is 5-methyl-4-methylidenehexan-3-ol.
What is the SMILES notation for 5-methyl-4-methylidenehexan-3-ol?
The canonical SMILES for 5-methyl-4-methylidenehexan-3-ol is C=C(C(C)C)C(O)CC.
What is the InChIKey of 5-methyl-4-methylidenehexan-3-ol?
The InChIKey is VCGNHFNDKSMFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-8(9)7(4)6(2)3/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 5-methyl-4-methylidenehexan-3-ol?
5-methyl-4-methylidenehexan-3-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidenehexan-3-ol is sourced from PubChem (CID 12036610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).