2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane

C16H30 — CID 123861215

IUPAC2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane
SMILESCCCCCCC(C1CC1)C1C(C)CC1C
InChIInChI=1S/C16H30/c1-4-5-6-7-8-15(14-9-10-14)16-12(2)11-13(16)3/h12-16H,4-11H2,1-3H3
InChIKeyQKSOGEYGISRVOU-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.28
Rot. Bonds7

About 2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane

2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane (PubChem CID 123861215) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane.

Molecular Properties

Compound Name2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane
PubChem CID123861215
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane
SMILESCCCCCCC(C1CC1)C1C(C)CC1C
InChIInChI=1S/C16H30/c1-4-5-6-7-8-15(14-9-10-14)16-12(2)11-13(16)3/h12-16H,4-11H2,1-3H3
InChIKeyQKSOGEYGISRVOU-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyloctylcyclopropane
CID 141276542
4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol
CID 150695272
4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine
CID 150327650
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
octan-2-ylcyclopropane
CID 18968125
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropylpentylcycloheptane
CID 91177068
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropyltridecan-1-ol
CID 63410999
1-bromotetradecylcyclopropane
CID 55193412
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane?
The IUPAC name of 2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane (CID 123861215) is 2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane.
What is the SMILES notation for 2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane?
The canonical SMILES for 2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane is CCCCCCC(C1CC1)C1C(C)CC1C.
What is the InChIKey of 2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane?
The InChIKey is QKSOGEYGISRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-5-6-7-8-15(14-9-10-14)16-12(2)11-13(16)3/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane?
2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane has a molecular weight of 222.42 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylheptyl)-1,3-dimethylcyclobutane is sourced from PubChem (CID 123861215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).