(3R)-2-methylpenta-1,4-dien-3-ol

C6H10O — CID 102163423

IUPAC(3R)-2-methylpenta-1,4-dien-3-ol
SMILESC=C[C@@H](O)C(=C)C
InChIInChI=1S/C6H10O/c1-4-6(7)5(2)3/h4,6-7H,1-2H2,3H3/t6-/m1/s1
InChIKeyXQRPJLZQWIIEHF-ZCFIWIBFSA-N
MW98.14 g/mol
LogP1.11
Rot. Bonds2

About (3R)-2-methylpenta-1,4-dien-3-ol

(3R)-2-methylpenta-1,4-dien-3-ol (PubChem CID 102163423) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (3R)-2-methylpenta-1,4-dien-3-ol.

Molecular Properties

Compound Name(3R)-2-methylpenta-1,4-dien-3-ol
PubChem CID102163423
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(3R)-2-methylpenta-1,4-dien-3-ol
SMILESC=C[C@@H](O)C(=C)C
InChIInChI=1S/C6H10O/c1-4-6(7)5(2)3/h4,6-7H,1-2H2,3H3/t6-/m1/s1
InChIKeyXQRPJLZQWIIEHF-ZCFIWIBFSA-N
XLogP1.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.11
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 (3R)-2-methylpenta-1,4-dien-3-ol?
The IUPAC name of (3R)-2-methylpenta-1,4-dien-3-ol (CID 102163423) is (3R)-2-methylpenta-1,4-dien-3-ol.
What is the SMILES notation for (3R)-2-methylpenta-1,4-dien-3-ol?
The canonical SMILES for (3R)-2-methylpenta-1,4-dien-3-ol is C=C[C@@H](O)C(=C)C.
What is the InChIKey of (3R)-2-methylpenta-1,4-dien-3-ol?
The InChIKey is XQRPJLZQWIIEHF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O/c1-4-6(7)5(2)3/h4,6-7H,1-2H2,3H3/t6-/m1/s1.
What are the key properties of (3R)-2-methylpenta-1,4-dien-3-ol?
(3R)-2-methylpenta-1,4-dien-3-ol has a molecular weight of 98.14 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methylpenta-1,4-dien-3-ol is sourced from PubChem (CID 102163423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).