1,3-bis(2-methylpentyl)cyclobutane

C16H32 — CID 143683640

IUPAC1,3-bis(2-methylpentyl)cyclobutane
SMILESCCCC(C)CC1CC(CC(C)CCC)C1
InChIInChI=1S/C16H32/c1-5-7-13(3)9-15-11-16(12-15)10-14(4)8-6-2/h13-16H,5-12H2,1-4H3
InChIKeyYQLWEXUITVJLPE-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds8

About 1,3-bis(2-methylpentyl)cyclobutane

1,3-bis(2-methylpentyl)cyclobutane (PubChem CID 143683640) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1,3-bis(2-methylpentyl)cyclobutane.

Molecular Properties

Compound Name1,3-bis(2-methylpentyl)cyclobutane
PubChem CID143683640
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1,3-bis(2-methylpentyl)cyclobutane
SMILESCCCC(C)CC1CC(CC(C)CCC)C1
InChIInChI=1S/C16H32/c1-5-7-13(3)9-15-11-16(12-15)10-14(4)8-6-2/h13-16H,5-12H2,1-4H3
InChIKeyYQLWEXUITVJLPE-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658
3-(2-methylpentyl)thietane 1,1-dioxide
CID 154981410
[4-(2-methylpentyl)cyclohexyl]methanol
CID 129166925
3-(2-methylpentyl)-1-propylpyrrolidine
CID 123729662
1-ethyl-2-[2-(2-methylpentyl)cyclopropyl]cyclopropane
CID 123748919
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
N-methyl-2-(2-methylpentyl)cyclopropan-1-amine
CID 163758904
2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane
CID 123239005
(4S)-4-(2-methylpentyl)pyrrolidin-2-one
CID 54458204
2-(2-methylpentyl)-4-propylcyclohexan-1-ol
CID 63461803
2-methyltridecylcyclopropane
CID 123424034

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylpentyl)cyclobutane?
The IUPAC name of 1,3-bis(2-methylpentyl)cyclobutane (CID 143683640) is 1,3-bis(2-methylpentyl)cyclobutane.
What is the SMILES notation for 1,3-bis(2-methylpentyl)cyclobutane?
The canonical SMILES for 1,3-bis(2-methylpentyl)cyclobutane is CCCC(C)CC1CC(CC(C)CCC)C1.
What is the InChIKey of 1,3-bis(2-methylpentyl)cyclobutane?
The InChIKey is YQLWEXUITVJLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-5-7-13(3)9-15-11-16(12-15)10-14(4)8-6-2/h13-16H,5-12H2,1-4H3.
What are the key properties of 1,3-bis(2-methylpentyl)cyclobutane?
1,3-bis(2-methylpentyl)cyclobutane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylpentyl)cyclobutane is sourced from PubChem (CID 143683640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).