3-methylpenta-3,4-dien-2-ol

C6H10O — CID 12962866

IUPAC3-methylpenta-3,4-dien-2-ol
SMILESC=C=C(C)C(C)O
InChIInChI=1S/C6H10O/c1-4-5(2)6(3)7/h6-7H,1H2,2-3H3
InChIKeyDFZWAUZLJJZQLX-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.10
Rot. Bonds1

About 3-methylpenta-3,4-dien-2-ol

3-methylpenta-3,4-dien-2-ol (PubChem CID 12962866) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-methylpenta-3,4-dien-2-ol.

Molecular Properties

Compound Name3-methylpenta-3,4-dien-2-ol
PubChem CID12962866
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name3-methylpenta-3,4-dien-2-ol
SMILESC=C=C(C)C(C)O
InChIInChI=1S/C6H10O/c1-4-5(2)6(3)7/h6-7H,1H2,2-3H3
InChIKeyDFZWAUZLJJZQLX-UHFFFAOYSA-N
XLogP1.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylpenta-3,4-dien-2-ol?
The IUPAC name of 3-methylpenta-3,4-dien-2-ol (CID 12962866) is 3-methylpenta-3,4-dien-2-ol.
What is the SMILES notation for 3-methylpenta-3,4-dien-2-ol?
The canonical SMILES for 3-methylpenta-3,4-dien-2-ol is C=C=C(C)C(C)O.
What is the InChIKey of 3-methylpenta-3,4-dien-2-ol?
The InChIKey is DFZWAUZLJJZQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-5(2)6(3)7/h6-7H,1H2,2-3H3.
What are the key properties of 3-methylpenta-3,4-dien-2-ol?
3-methylpenta-3,4-dien-2-ol has a molecular weight of 98.14 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpenta-3,4-dien-2-ol is sourced from PubChem (CID 12962866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).