2,5-dimethyl-3-methylidenehexan-1-ol

C9H18O — CID 86653885

IUPAC2,5-dimethyl-3-methylidenehexan-1-ol
SMILESC=C(CC(C)C)C(C)CO
InChIInChI=1S/C9H18O/c1-7(2)5-8(3)9(4)6-10/h7,9-10H,3,5-6H2,1-2,4H3
InChIKeyWQDLAFRWYIDGSN-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.22
Rot. Bonds4

About 2,5-dimethyl-3-methylidenehexan-1-ol

2,5-dimethyl-3-methylidenehexan-1-ol (PubChem CID 86653885) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylidenehexan-1-ol.

Molecular Properties

Compound Name2,5-dimethyl-3-methylidenehexan-1-ol
PubChem CID86653885
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,5-dimethyl-3-methylidenehexan-1-ol
SMILESC=C(CC(C)C)C(C)CO
InChIInChI=1S/C9H18O/c1-7(2)5-8(3)9(4)6-10/h7,9-10H,3,5-6H2,1-2,4H3
InChIKeyWQDLAFRWYIDGSN-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.22
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 2,5-dimethyl-3-methylidenehexan-1-ol?
The IUPAC name of 2,5-dimethyl-3-methylidenehexan-1-ol (CID 86653885) is 2,5-dimethyl-3-methylidenehexan-1-ol.
What is the SMILES notation for 2,5-dimethyl-3-methylidenehexan-1-ol?
The canonical SMILES for 2,5-dimethyl-3-methylidenehexan-1-ol is C=C(CC(C)C)C(C)CO.
What is the InChIKey of 2,5-dimethyl-3-methylidenehexan-1-ol?
The InChIKey is WQDLAFRWYIDGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)5-8(3)9(4)6-10/h7,9-10H,3,5-6H2,1-2,4H3.
What are the key properties of 2,5-dimethyl-3-methylidenehexan-1-ol?
2,5-dimethyl-3-methylidenehexan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylidenehexan-1-ol is sourced from PubChem (CID 86653885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).