1-methyl-3-(3-methylhexyl)cyclobutane

C12H24 — CID 90803912

IUPAC1-methyl-3-(3-methylhexyl)cyclobutane
SMILESCCCC(C)CCC1CC(C)C1
InChIInChI=1S/C12H24/c1-4-5-10(2)6-7-12-8-11(3)9-12/h10-12H,4-9H2,1-3H3
InChIKeyWUNMLWGJWYQSSY-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds5

About 1-methyl-3-(3-methylhexyl)cyclobutane

1-methyl-3-(3-methylhexyl)cyclobutane (PubChem CID 90803912) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-methyl-3-(3-methylhexyl)cyclobutane.

Molecular Properties

Compound Name1-methyl-3-(3-methylhexyl)cyclobutane
PubChem CID90803912
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-methyl-3-(3-methylhexyl)cyclobutane
SMILESCCCC(C)CCC1CC(C)C1
InChIInChI=1S/C12H24/c1-4-5-10(2)6-7-12-8-11(3)9-12/h10-12H,4-9H2,1-3H3
InChIKeyWUNMLWGJWYQSSY-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,5-dimethylcyclohexyl)hexan-3-ol
CID 64730162
(5R)-1-(3,4-dimethylpentyl)-3,5-dimethylcyclohexane
CID 144902537
1,3-dimethyl-5-propylcyclohexane
CID 13144142
ethane;2-methylbutane;1-methyl-3-(3-methylpentyl)cyclobutane;propan-2-ylcyclobutane
CID 143682617
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
1,3-dimethyl-5-propylcyclohexane;ethane
CID 142054568
2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane
CID 123920331
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562
4-methylheptane;propane
CID 142171269
2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822227

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylhexyl)cyclobutane?
The IUPAC name of 1-methyl-3-(3-methylhexyl)cyclobutane (CID 90803912) is 1-methyl-3-(3-methylhexyl)cyclobutane.
What is the SMILES notation for 1-methyl-3-(3-methylhexyl)cyclobutane?
The canonical SMILES for 1-methyl-3-(3-methylhexyl)cyclobutane is CCCC(C)CCC1CC(C)C1.
What is the InChIKey of 1-methyl-3-(3-methylhexyl)cyclobutane?
The InChIKey is WUNMLWGJWYQSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-5-10(2)6-7-12-8-11(3)9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-methyl-3-(3-methylhexyl)cyclobutane?
1-methyl-3-(3-methylhexyl)cyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylhexyl)cyclobutane is sourced from PubChem (CID 90803912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).