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

C12H20O2 — CID 176893942

IUPAC(3R)-2-methylpenta-1,4-dien-3-ol
SMILESC=C[C@@H](O)C(=C)C.C=C[C@@H](O)C(=C)C
InChIInChI=1S/2C6H10O/c2*1-4-6(7)5(2)3/h2*4,6-7H,1-2H2,3H3/t2*6-/m11/s1
InChIKeySEOCRLCJVQPCBY-BYZBDTJCSA-N
MW196.29 g/mol
LogP2.22
Rot. Bonds4

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

(3R)-2-methylpenta-1,4-dien-3-ol (PubChem CID 176893942) has the molecular formula C12H20O2 and a molecular weight of 196.29 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 CID176893942
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(3R)-2-methylpenta-1,4-dien-3-ol
SMILESC=C[C@@H](O)C(=C)C.C=C[C@@H](O)C(=C)C
InChIInChI=1S/2C6H10O/c2*1-4-6(7)5(2)3/h2*4,6-7H,1-2H2,3H3/t2*6-/m11/s1
InChIKeySEOCRLCJVQPCBY-BYZBDTJCSA-N
XLogP2.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 176893942) 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.C=C[C@@H](O)C(=C)C.
What is the InChIKey of (3R)-2-methylpenta-1,4-dien-3-ol?
The InChIKey is SEOCRLCJVQPCBY-BYZBDTJCSA-N. The full InChI is InChI=1S/2C6H10O/c2*1-4-6(7)5(2)3/h2*4,6-7H,1-2H2,3H3/t2*6-/m11/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 196.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 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 176893942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).