2-methyloct-2-en-4-ol

C9H18O — CID 558888

IUPAC2-methyloct-2-en-4-ol
SMILESCCCCC(O)C=C(C)C
InChIInChI=1S/C9H18O/c1-4-5-6-9(10)7-8(2)3/h7,9-10H,4-6H2,1-3H3
InChIKeyPNLIZTGZMGUPNP-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds4

About 2-methyloct-2-en-4-ol

2-methyloct-2-en-4-ol (PubChem CID 558888) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyloct-2-en-4-ol.

Molecular Properties

Compound Name2-methyloct-2-en-4-ol
PubChem CID558888
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyloct-2-en-4-ol
SMILESCCCCC(O)C=C(C)C
InChIInChI=1S/C9H18O/c1-4-5-6-9(10)7-8(2)3/h7,9-10H,4-6H2,1-3H3
InChIKeyPNLIZTGZMGUPNP-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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-methyloct-2-en-4-ol?
The IUPAC name of 2-methyloct-2-en-4-ol (CID 558888) is 2-methyloct-2-en-4-ol.
What is the SMILES notation for 2-methyloct-2-en-4-ol?
The canonical SMILES for 2-methyloct-2-en-4-ol is CCCCC(O)C=C(C)C.
What is the InChIKey of 2-methyloct-2-en-4-ol?
The InChIKey is PNLIZTGZMGUPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-5-6-9(10)7-8(2)3/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-methyloct-2-en-4-ol?
2-methyloct-2-en-4-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloct-2-en-4-ol is sourced from PubChem (CID 558888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).