1,3-dimethyl-2-(4-methylpentyl)cyclobutane

C12H24 — CID 123570825

IUPAC1,3-dimethyl-2-(4-methylpentyl)cyclobutane
SMILESCC(C)CCCC1C(C)CC1C
InChIInChI=1S/C12H24/c1-9(2)6-5-7-12-10(3)8-11(12)4/h9-12H,5-8H2,1-4H3
InChIKeyTURZWROBVCEPTJ-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds4

About 1,3-dimethyl-2-(4-methylpentyl)cyclobutane

1,3-dimethyl-2-(4-methylpentyl)cyclobutane (PubChem CID 123570825) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,3-dimethyl-2-(4-methylpentyl)cyclobutane.

Molecular Properties

Compound Name1,3-dimethyl-2-(4-methylpentyl)cyclobutane
PubChem CID123570825
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,3-dimethyl-2-(4-methylpentyl)cyclobutane
SMILESCC(C)CCCC1C(C)CC1C
InChIInChI=1S/C12H24/c1-9(2)6-5-7-12-10(3)8-11(12)4/h9-12H,5-8H2,1-4H3
InChIKeyTURZWROBVCEPTJ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-2-pentylcyclobutane
CID 91222798
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
1-(4-methylpentyl)-2-propan-2-ylcyclopropane
CID 90741297
(1S,2S,3S,5R)-3-fluoro-6,6-dimethyl-2-(4-methylpentyl)bicyclo[3.1.1]heptane
CID 154714379
5-(4-methylpentyl)cyclopenta-1,3-diene
CID 157130017
4-methylpentylcyclopentane
CID 523530
3-methyl-4-(4-methylpentyl)piperidine
CID 106781094
4-methyl-3-(4-methylpentyl)cyclohexene
CID 142386798
1-methyl-2-(5-methylhexan-2-yl)cyclopropane
CID 91344454
1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane
CID 58111745
1-(3-methylpentyl)-2-(4-methylpentyl)cyclopropane
CID 91283171
1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane
CID 123634684

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(4-methylpentyl)cyclobutane?
The IUPAC name of 1,3-dimethyl-2-(4-methylpentyl)cyclobutane (CID 123570825) is 1,3-dimethyl-2-(4-methylpentyl)cyclobutane.
What is the SMILES notation for 1,3-dimethyl-2-(4-methylpentyl)cyclobutane?
The canonical SMILES for 1,3-dimethyl-2-(4-methylpentyl)cyclobutane is CC(C)CCCC1C(C)CC1C.
What is the InChIKey of 1,3-dimethyl-2-(4-methylpentyl)cyclobutane?
The InChIKey is TURZWROBVCEPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-9(2)6-5-7-12-10(3)8-11(12)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-2-(4-methylpentyl)cyclobutane?
1,3-dimethyl-2-(4-methylpentyl)cyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(4-methylpentyl)cyclobutane is sourced from PubChem (CID 123570825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).