4-propan-2-ylnon-1-ene

C12H24 — CID 173177475

IUPAC4-propan-2-ylnon-1-ene
SMILESC=CCC(CCCCC)C(C)C
InChIInChI=1S/C12H24/c1-5-7-8-10-12(9-6-2)11(3)4/h6,11-12H,2,5,7-10H2,1,3-4H3
InChIKeyHVPXJZBBRVKJPG-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds7

About 4-propan-2-ylnon-1-ene

4-propan-2-ylnon-1-ene (PubChem CID 173177475) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 4-propan-2-ylnon-1-ene.

Molecular Properties

Compound Name4-propan-2-ylnon-1-ene
PubChem CID173177475
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name4-propan-2-ylnon-1-ene
SMILESC=CCC(CCCCC)C(C)C
InChIInChI=1S/C12H24/c1-5-7-8-10-12(9-6-2)11(3)4/h6,11-12H,2,5,7-10H2,1,3-4H3
InChIKeyHVPXJZBBRVKJPG-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;(4R)-4-propan-2-yloct-1-ene
CID 159803024
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4-butan-2-ylheptadec-1-ene
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4-propan-2-ylhepta-1,6-diene
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17-prop-2-enyltetratriacontane
CID 173452630
4-prop-2-enylpentadec-1-ene
CID 54427529
5-ethyl-4-methylnon-1-ene
CID 22027489
13-nonyl-14-prop-2-enylhexacosanedioic acid
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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylnon-1-ene?
The IUPAC name of 4-propan-2-ylnon-1-ene (CID 173177475) is 4-propan-2-ylnon-1-ene.
What is the SMILES notation for 4-propan-2-ylnon-1-ene?
The canonical SMILES for 4-propan-2-ylnon-1-ene is C=CCC(CCCCC)C(C)C.
What is the InChIKey of 4-propan-2-ylnon-1-ene?
The InChIKey is HVPXJZBBRVKJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-7-8-10-12(9-6-2)11(3)4/h6,11-12H,2,5,7-10H2,1,3-4H3.
What are the key properties of 4-propan-2-ylnon-1-ene?
4-propan-2-ylnon-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylnon-1-ene is sourced from PubChem (CID 173177475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).