1-hexan-3-yl-2,3-dimethylcyclopropene

C11H20 — CID 123742761

IUPAC1-hexan-3-yl-2,3-dimethylcyclopropene
SMILESCCCC(CC)C1=C(C)C1C
InChIInChI=1S/C11H20/c1-5-7-10(6-2)11-8(3)9(11)4/h8,10H,5-7H2,1-4H3
InChIKeySULVQVJFAPLOQG-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds4

About 1-hexan-3-yl-2,3-dimethylcyclopropene

1-hexan-3-yl-2,3-dimethylcyclopropene (PubChem CID 123742761) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-hexan-3-yl-2,3-dimethylcyclopropene.

Molecular Properties

Compound Name1-hexan-3-yl-2,3-dimethylcyclopropene
PubChem CID123742761
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-hexan-3-yl-2,3-dimethylcyclopropene
SMILESCCCC(CC)C1=C(C)C1C
InChIInChI=1S/C11H20/c1-5-7-10(6-2)11-8(3)9(11)4/h8,10H,5-7H2,1-4H3
InChIKeySULVQVJFAPLOQG-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 142883987
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CID 170149364
1-hexan-3-yl-4-(6-methylsulfanylhexyl)benzene
CID 166153149
3-hexan-3-yl-2-methylpyridine
CID 143825062
3-hexan-3-yl-2-nonylphenol
CID 174697937
1-cyclohexyl-3-hexan-3-yl-5-methylbenzene
CID 143194655
2-decyl-3-hexan-3-ylphenol
CID 174709915
6-hexan-3-yl-3-methyl-1H-pyridin-2-one
CID 144533250
2-hexan-3-ylbicyclo[3.2.0]hept-2-ene
CID 163844426
(3R)-3,4-dimethylheptane
CID 59819300
3-heptan-4-yl-5-methylpyridine
CID 134266506

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-2,3-dimethylcyclopropene?
The IUPAC name of 1-hexan-3-yl-2,3-dimethylcyclopropene (CID 123742761) is 1-hexan-3-yl-2,3-dimethylcyclopropene.
What is the SMILES notation for 1-hexan-3-yl-2,3-dimethylcyclopropene?
The canonical SMILES for 1-hexan-3-yl-2,3-dimethylcyclopropene is CCCC(CC)C1=C(C)C1C.
What is the InChIKey of 1-hexan-3-yl-2,3-dimethylcyclopropene?
The InChIKey is SULVQVJFAPLOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-10(6-2)11-8(3)9(11)4/h8,10H,5-7H2,1-4H3.
What are the key properties of 1-hexan-3-yl-2,3-dimethylcyclopropene?
1-hexan-3-yl-2,3-dimethylcyclopropene has a molecular weight of 152.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-2,3-dimethylcyclopropene is sourced from PubChem (CID 123742761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).