3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane

C18H34 — CID 20645148

IUPAC3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane
SMILESCC1CC2C(CC1(C)C(C)(C)C(C)(C)C)C2(C)C
InChIInChI=1S/C18H34/c1-12-10-13-14(16(13,5)6)11-18(12,9)17(7,8)15(2,3)4/h12-14H,10-11H2,1-9H3
InChIKeyYUYSHVNVOJXKFJ-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.77
Rot. Bonds1

About 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane

3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane (PubChem CID 20645148) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane
PubChem CID20645148
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane
SMILESCC1CC2C(CC1(C)C(C)(C)C(C)(C)C)C2(C)C
InChIInChI=1S/C18H34/c1-12-10-13-14(16(13,5)6)11-18(12,9)17(7,8)15(2,3)4/h12-14H,10-11H2,1-9H3
InChIKeyYUYSHVNVOJXKFJ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]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

Carane
CID 79043
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
1-Methylbicyclo(4.1.0)heptane
CID 137602
cis-Carane
CID 12302437
1-Isopropyl-4-methyl-2-(2,6,10-trimethyl-dodecan-6-yl)-cyclohexane
CID 42608275
Tetracyclo[6.1.0.0(2,4).0(5,7)]nonane, 3,3,6,6,9,9-hexaethyl-, cis,cis,trans-
CID 540812
7,7-Dimethylbicyclo(4.1.0)heptane
CID 11815353
Bicyclo[4.1.0]heptane, 1-(1-methylethyl)-
CID 12159649
(+)-trans-Caran
CID 12302438
1,6-Dimethylnorcarane
CID 12714126
1,1,3-Trimethyl-2-(3-methyloctyl)cyclohexane
CID 15748534
Decamethylcyclohexane
CID 58233728

Frequently Asked Questions

What is the IUPAC name of 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane?
The IUPAC name of 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane (CID 20645148) is 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane.
What is the SMILES notation for 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane?
The canonical SMILES for 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane is CC1CC2C(CC1(C)C(C)(C)C(C)(C)C)C2(C)C.
What is the InChIKey of 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane?
The InChIKey is YUYSHVNVOJXKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-12-10-13-14(16(13,5)6)11-18(12,9)17(7,8)15(2,3)4/h12-14H,10-11H2,1-9H3.
What are the key properties of 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane?
3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane has a molecular weight of 250.47 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,7-tetramethyl-3-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 20645148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).