2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane

C21H40 — CID 123437795

IUPAC2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane
SMILESCCCCC1(C(C)CCC)CC2(CC(C)C2CC)C1CC
InChIInChI=1S/C21H40/c1-7-11-13-20(17(6)12-8-2)15-21(19(20)10-4)14-16(5)18(21)9-3/h16-19H,7-15H2,1-6H3
InChIKeyKHPHUOHNGUZAMQ-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.08
Rot. Bonds8

About 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane

2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane (PubChem CID 123437795) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane.

Molecular Properties

Compound Name2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane
PubChem CID123437795
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane
SMILESCCCCC1(C(C)CCC)CC2(CC(C)C2CC)C1CC
InChIInChI=1S/C21H40/c1-7-11-13-20(17(6)12-8-2)15-21(19(20)10-4)14-16(5)18(21)9-3/h16-19H,7-15H2,1-6H3
InChIKeyKHPHUOHNGUZAMQ-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane 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

3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane
CID 123162536
2-ethyl-1,3-dimethyl-1-(3-methylbutyl)cyclobutane
CID 123763247
1-butyl-2-methyl-1-octan-2-ylcyclohexane
CID 163529838
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
3-ethyl-1-methyl-1-pentan-2-ylcyclobutane
CID 123384644
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane
CID 123628680
1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
CID 107892837
7-butyl-6-methyl-2-(2-propan-2-ylspiro[3.3]heptan-6-yl)-3-propylspiro[3.3]heptane
CID 20695687
1-butyl-2-methyl-1-propan-2-ylcyclohexane
CID 174787138

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane?
The IUPAC name of 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane (CID 123437795) is 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane.
What is the SMILES notation for 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane?
The canonical SMILES for 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane is CCCCC1(C(C)CCC)CC2(CC(C)C2CC)C1CC.
What is the InChIKey of 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane?
The InChIKey is KHPHUOHNGUZAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-7-11-13-20(17(6)12-8-2)15-21(19(20)10-4)14-16(5)18(21)9-3/h16-19H,7-15H2,1-6H3.
What are the key properties of 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane?
2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane has a molecular weight of 292.55 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,7-diethyl-6-methyl-2-pentan-2-ylspiro[3.3]heptane is sourced from PubChem (CID 123437795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).