1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane

C15H30 — CID 123947517

IUPAC1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane
SMILESCCCCCC(C)C1C(C)C1C(C)CC
InChIInChI=1S/C15H30/c1-6-8-9-10-12(4)15-13(5)14(15)11(3)7-2/h11-15H,6-10H2,1-5H3
InChIKeyQMCFYYFJRJRRCI-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.13
Rot. Bonds7

About 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane

1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane (PubChem CID 123947517) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane.

Molecular Properties

Compound Name1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane
PubChem CID123947517
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane
SMILESCCCCCC(C)C1C(C)C1C(C)CC
InChIInChI=1S/C15H30/c1-6-8-9-10-12(4)15-13(5)14(15)11(3)7-2/h11-15H,6-10H2,1-5H3
InChIKeyQMCFYYFJRJRRCI-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-pentan-2-yl-3-pentylcyclopropane
CID 91342380
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1,1,2-trimethyl-3-undecan-2-ylcyclopropane
CID 123706560
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
octan-2-ylcyclopropane
CID 18968125
(3R)-3-methyloctadecane
CID 98094048
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
2-methylbutane;2-methyltridecane
CID 54106775
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
11-methylhentriacontane
CID 520767

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane?
The IUPAC name of 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane (CID 123947517) is 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane.
What is the SMILES notation for 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane?
The canonical SMILES for 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane is CCCCCC(C)C1C(C)C1C(C)CC.
What is the InChIKey of 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane?
The InChIKey is QMCFYYFJRJRRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-8-9-10-12(4)15-13(5)14(15)11(3)7-2/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane?
1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane has a molecular weight of 210.40 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane is sourced from PubChem (CID 123947517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).