(E)-3-methylpent-3-en-2-ol

C6H12O — CID 6372307

IUPAC(E)-3-methylpent-3-en-2-ol
SMILESC/C=C(\C)C(C)O
InChIInChI=1S/C6H12O/c1-4-5(2)6(3)7/h4,6-7H,1-3H3/b5-4+
InChIKeyZUSDZQLJCVJXRL-SNAWJCMRSA-N
MW100.16 g/mol
LogP1.33
Rot. Bonds1

About (E)-3-methylpent-3-en-2-ol

(E)-3-methylpent-3-en-2-ol (PubChem CID 6372307) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (E)-3-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-methylpent-3-en-2-ol
PubChem CID6372307
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(E)-3-methylpent-3-en-2-ol
SMILESC/C=C(\C)C(C)O
InChIInChI=1S/C6H12O/c1-4-5(2)6(3)7/h4,6-7H,1-3H3/b5-4+
InChIKeyZUSDZQLJCVJXRL-SNAWJCMRSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.33
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)-3-methylpent-3-en-2-ol?
The IUPAC name of (E)-3-methylpent-3-en-2-ol (CID 6372307) is (E)-3-methylpent-3-en-2-ol.
What is the SMILES notation for (E)-3-methylpent-3-en-2-ol?
The canonical SMILES for (E)-3-methylpent-3-en-2-ol is C/C=C(\C)C(C)O.
What is the InChIKey of (E)-3-methylpent-3-en-2-ol?
The InChIKey is ZUSDZQLJCVJXRL-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12O/c1-4-5(2)6(3)7/h4,6-7H,1-3H3/b5-4+.
What are the key properties of (E)-3-methylpent-3-en-2-ol?
(E)-3-methylpent-3-en-2-ol has a molecular weight of 100.16 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylpent-3-en-2-ol is sourced from PubChem (CID 6372307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).