3,4,10-trimethyltridec-7-enylcyclobutane

C20H38 — CID 91310589

IUPAC3,4,10-trimethyltridec-7-enylcyclobutane
SMILESCCCC(C)CC=CCCC(C)C(C)CCC1CCC1
InChIInChI=1S/C20H38/c1-5-10-17(2)11-7-6-8-12-18(3)19(4)15-16-20-13-9-14-20/h6-7,17-20H,5,8-16H2,1-4H3
InChIKeyNDKTXUAAPVZAPL-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.00
Rot. Bonds11

About 3,4,10-trimethyltridec-7-enylcyclobutane

3,4,10-trimethyltridec-7-enylcyclobutane (PubChem CID 91310589) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 3,4,10-trimethyltridec-7-enylcyclobutane.

Molecular Properties

Compound Name3,4,10-trimethyltridec-7-enylcyclobutane
PubChem CID91310589
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name3,4,10-trimethyltridec-7-enylcyclobutane
SMILESCCCC(C)CC=CCCC(C)C(C)CCC1CCC1
InChIInChI=1S/C20H38/c1-5-10-17(2)11-7-6-8-12-18(3)19(4)15-16-20-13-9-14-20/h6-7,17-20H,5,8-16H2,1-4H3
InChIKeyNDKTXUAAPVZAPL-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,4,10-trimethyltridec-7-enylcyclobutane 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

6-methyl-N-propan-2-ylnon-3-en-1-amine
CID 79592090
2,3,6,8,11-pentamethyltetradecylcyclobutane
CID 123722303
1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658
(E)-1-methoxy-5-methyloct-2-ene
CID 88527426
1-ethyl-4-(3-methylbutyl)cycloheptane
CID 123171853
3-ethylhexylcyclopentane
CID 123372890
(E)-4,9-dimethyltetradec-6-ene
CID 173273385
1-cyclohexylhexan-3-amine
CID 43370456
(NE)-N-(5-cyclopentyl-3-methylpentylidene)hydroxylamine
CID 18433861
9-methyloctadec-10-enylcyclobutane
CID 123534586
1-cyclobutyl-3-methylhexan-2-ol
CID 115802415
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512

Frequently Asked Questions

What is the IUPAC name of 3,4,10-trimethyltridec-7-enylcyclobutane?
The IUPAC name of 3,4,10-trimethyltridec-7-enylcyclobutane (CID 91310589) is 3,4,10-trimethyltridec-7-enylcyclobutane.
What is the SMILES notation for 3,4,10-trimethyltridec-7-enylcyclobutane?
The canonical SMILES for 3,4,10-trimethyltridec-7-enylcyclobutane is CCCC(C)CC=CCCC(C)C(C)CCC1CCC1.
What is the InChIKey of 3,4,10-trimethyltridec-7-enylcyclobutane?
The InChIKey is NDKTXUAAPVZAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-5-10-17(2)11-7-6-8-12-18(3)19(4)15-16-20-13-9-14-20/h6-7,17-20H,5,8-16H2,1-4H3.
What are the key properties of 3,4,10-trimethyltridec-7-enylcyclobutane?
3,4,10-trimethyltridec-7-enylcyclobutane has a molecular weight of 278.52 g/mol, XLogP of 7.00, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,10-trimethyltridec-7-enylcyclobutane is sourced from PubChem (CID 91310589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).