2-Isopropylpent-4-en-1-ol

C8H16O — CID 21580435

IUPAC2-propan-2-ylpent-4-en-1-ol
SMILESCC(C)C(CC=C)CO
InChIInChI=1S/C8H16O/c1-4-5-8(6-9)7(2)3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyNAWJMYNXGYLOQJ-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.20
Rot. Bonds4

About 2-Isopropylpent-4-en-1-ol

2-Isopropylpent-4-en-1-ol (PubChem CID 21580435) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-propan-2-ylpent-4-en-1-ol.

Molecular Properties

Compound Name2-Isopropylpent-4-en-1-ol
PubChem CID21580435
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-propan-2-ylpent-4-en-1-ol
SMILESCC(C)C(CC=C)CO
InChIInChI=1S/C8H16O/c1-4-5-8(6-9)7(2)3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyNAWJMYNXGYLOQJ-UHFFFAOYSA-N
XLogP2.20
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity76

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethylhex-5-en-1-ol
CID 10240821
Lasiol
CID 11480574
6-Hepten-1-ol, 2-methyl-
CID 565262
(2R,3R)-2,3,6-trimethylhept-5-en-1-ol
CID 11789459
2,3,6-Trimethylhept-5-en-1-ol
CID 131384
5-Methyl-1-hepten-4-ol
CID 145341
4-Methyl-6-hepten-3-ol
CID 547700
(4S)-4-Methylhex-5-en-1-ol
CID 13119644
(2S,3R)-2,3,6-trimethylhept-5-en-1-ol
CID 11030070
2,3-Dimethyl-5-hexen-2-ol
CID 85958390
3,5-Dimethyl-1,6-heptadien-4-ol
CID 537207
3-Methyl-6-hepten-1-ol
CID 543353

Frequently Asked Questions

What is the IUPAC name of 2-Isopropylpent-4-en-1-ol?
The IUPAC name of 2-Isopropylpent-4-en-1-ol (CID 21580435) is 2-propan-2-ylpent-4-en-1-ol.
What is the SMILES notation for 2-Isopropylpent-4-en-1-ol?
The canonical SMILES for 2-Isopropylpent-4-en-1-ol is CC(C)C(CC=C)CO.
What is the InChIKey of 2-Isopropylpent-4-en-1-ol?
The InChIKey is NAWJMYNXGYLOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-8(6-9)7(2)3/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 2-Isopropylpent-4-en-1-ol?
2-Isopropylpent-4-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Isopropylpent-4-en-1-ol is sourced from PubChem (CID 21580435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).