1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane

C13H24 — CID 91265902

IUPAC1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane
SMILESCCCC(C)C(C)=CC1(C)CC1C
InChIInChI=1S/C13H24/c1-6-7-10(2)11(3)8-13(5)9-12(13)4/h8,10,12H,6-7,9H2,1-5H3
InChIKeyUGBSBKPHDKVIFB-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds4

About 1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane

1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane (PubChem CID 91265902) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane.

Molecular Properties

Compound Name1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane
PubChem CID91265902
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane
SMILESCCCC(C)C(C)=CC1(C)CC1C
InChIInChI=1S/C13H24/c1-6-7-10(2)11(3)8-13(5)9-12(13)4/h8,10,12H,6-7,9H2,1-5H3
InChIKeyUGBSBKPHDKVIFB-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
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

1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
(E)-4,5-dimethyloct-3-en-2-one
CID 87291379
1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane
CID 91455933
2-methyl-1-pentan-3-ylcyclopropan-1-ol
CID 79332194
cis-(4S,6R)-1,6-dimethyl-4-[(2R)-pentan-2-yl]cyclohexane-1,2-diol
CID 129073832
2-methyl-1-(1-methylcyclopropyl)pentan-1-one
CID 107896359
ethyl 3,4-dimethylhept-2-enoate
CID 123957528
4-(1,2-dimethylcyclopropyl)heptanal
CID 123435086
2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile
CID 106664445
1-(2,3-dimethylpent-1-enyl)-2-(2-methylpentyl)cyclopropane
CID 91373540
1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
CID 107892837
trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol
CID 131230361

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane?
The IUPAC name of 1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane (CID 91265902) is 1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane.
What is the SMILES notation for 1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane?
The canonical SMILES for 1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane is CCCC(C)C(C)=CC1(C)CC1C.
What is the InChIKey of 1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane?
The InChIKey is UGBSBKPHDKVIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-7-10(2)11(3)8-13(5)9-12(13)4/h8,10,12H,6-7,9H2,1-5H3.
What are the key properties of 1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane?
1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane has a molecular weight of 180.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane is sourced from PubChem (CID 91265902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).