1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane

C15H30 — CID 123142575

IUPAC1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane
SMILESCCCC(CCC)CC1(C)CC(C)(C)C1
InChIInChI=1S/C15H30/c1-6-8-13(9-7-2)10-15(5)11-14(3,4)12-15/h13H,6-12H2,1-5H3
InChIKeyMHJWHZAHOULCRR-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.42
Rot. Bonds6

About 1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane

1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane (PubChem CID 123142575) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane
PubChem CID123142575
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane
SMILESCCCC(CCC)CC1(C)CC(C)(C)C1
InChIInChI=1S/C15H30/c1-6-8-13(9-7-2)10-15(5)11-14(3,4)12-15/h13H,6-12H2,1-5H3
InChIKeyMHJWHZAHOULCRR-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-1-(2-propylpentyl)cyclopropane
CID 155726097
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
3,3-dimethyl-1-(2-propylpentyl)pyrrolidine
CID 123859198
1,1,2-trimethyl-2-pentan-2-ylcyclopropane
CID 123201707
3,3,5-trimethyl-5-[(propan-2-ylamino)methyl]-1-propylcyclohexan-1-amine
CID 69088655
4-ethylheptane;methane
CID 143165373
1-methyl-1-(2-propan-2-ylpentyl)cyclopentane
CID 147209819
1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane
CID 123492953
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
2-[2-(oxiran-2-ylmethyl)pentyl]oxirane;hydrate
CID 87791870
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane?
The IUPAC name of 1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane (CID 123142575) is 1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane.
What is the SMILES notation for 1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane?
The canonical SMILES for 1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane is CCCC(CCC)CC1(C)CC(C)(C)C1.
What is the InChIKey of 1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane?
The InChIKey is MHJWHZAHOULCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-8-13(9-7-2)10-15(5)11-14(3,4)12-15/h13H,6-12H2,1-5H3.
What are the key properties of 1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane?
1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane has a molecular weight of 210.40 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(2-propylpentyl)cyclobutane is sourced from PubChem (CID 123142575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).