2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane

C20H36 — CID 90747317

IUPAC2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane
SMILESCCCC1CC(C)C2(CC3CC3CC(C)CC)CC1C2
InChIInChI=1S/C20H36/c1-5-7-16-9-15(4)20(12-19(16)13-20)11-18-10-17(18)8-14(3)6-2/h14-19H,5-13H2,1-4H3
InChIKeyYWUVGKULGLVDQD-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.30
Rot. Bonds7

About 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane

2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane (PubChem CID 90747317) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane
PubChem CID90747317
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane
SMILESCCCC1CC(C)C2(CC3CC3CC(C)CC)CC1C2
InChIInChI=1S/C20H36/c1-5-7-16-9-15(4)20(12-19(16)13-20)11-18-10-17(18)8-14(3)6-2/h14-19H,5-13H2,1-4H3
InChIKeyYWUVGKULGLVDQD-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane with MolForge

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Related Compounds

Pinane
CID 10129
Pinane, cis-(+)-
CID 10953595
cis-Pinane
CID 10969850
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 17755566
(+-)-cis-Pinane
CID 6429433
(1R,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 11051725
Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-
CID 12314300
2,6,6-Trimethyl-bicyclo(3.1.1)heptane, trans
CID 91015300
6,6-Dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]
CID 12712158
(6R,9S)-2-(2-deuterioethyl)-2-(deuteriomethyl)-6-methyl-9-propan-2-ylspiro[3.5]nonane
CID 139233781
(1S,2R,4S,6R)-2,7,7-trimethyltricyclo[4.1.1.02,4]octane
CID 13468514
(2S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 14744271

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane?
The IUPAC name of 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane (CID 90747317) is 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane.
What is the SMILES notation for 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane?
The canonical SMILES for 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane is CCCC1CC(C)C2(CC3CC3CC(C)CC)CC1C2.
What is the InChIKey of 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane?
The InChIKey is YWUVGKULGLVDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-5-7-16-9-15(4)20(12-19(16)13-20)11-18-10-17(18)8-14(3)6-2/h14-19H,5-13H2,1-4H3.
What are the key properties of 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane?
2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane has a molecular weight of 276.51 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(2-methylbutyl)cyclopropyl]methyl]-4-propylbicyclo[3.1.1]heptane is sourced from PubChem (CID 90747317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).