(3S)-3-propan-2-ylpent-4-en-1-ol

C8H16O — CID 10464366

IUPAC(3S)-3-propan-2-ylpent-4-en-1-ol
SMILESC=C[C@@H](CCO)C(C)C
InChIInChI=1S/C8H16O/c1-4-8(5-6-9)7(2)3/h4,7-9H,1,5-6H2,2-3H3/t8-/m0/s1
InChIKeyWEVPJLKXFKOPCX-QMMMGPOBSA-N
MW128.21 g/mol
LogP1.83
Rot. Bonds4

About (3S)-3-propan-2-ylpent-4-en-1-ol

(3S)-3-propan-2-ylpent-4-en-1-ol (PubChem CID 10464366) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (3S)-3-propan-2-ylpent-4-en-1-ol.

Molecular Properties

Compound Name(3S)-3-propan-2-ylpent-4-en-1-ol
PubChem CID10464366
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(3S)-3-propan-2-ylpent-4-en-1-ol
SMILESC=C[C@@H](CCO)C(C)C
InChIInChI=1S/C8H16O/c1-4-8(5-6-9)7(2)3/h4,7-9H,1,5-6H2,2-3H3/t8-/m0/s1
InChIKeyWEVPJLKXFKOPCX-QMMMGPOBSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.83
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 (3S)-3-propan-2-ylpent-4-en-1-ol?
The IUPAC name of (3S)-3-propan-2-ylpent-4-en-1-ol (CID 10464366) is (3S)-3-propan-2-ylpent-4-en-1-ol.
What is the SMILES notation for (3S)-3-propan-2-ylpent-4-en-1-ol?
The canonical SMILES for (3S)-3-propan-2-ylpent-4-en-1-ol is C=C[C@@H](CCO)C(C)C.
What is the InChIKey of (3S)-3-propan-2-ylpent-4-en-1-ol?
The InChIKey is WEVPJLKXFKOPCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O/c1-4-8(5-6-9)7(2)3/h4,7-9H,1,5-6H2,2-3H3/t8-/m0/s1.
What are the key properties of (3S)-3-propan-2-ylpent-4-en-1-ol?
(3S)-3-propan-2-ylpent-4-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-ylpent-4-en-1-ol is sourced from PubChem (CID 10464366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).