(4-methyl-3-propyloctan-2-yl)cyclobutane

C16H32 — CID 20695675

IUPAC(4-methyl-3-propyloctan-2-yl)cyclobutane
SMILESCCCCC(C)C(CCC)C(C)C1CCC1
InChIInChI=1S/C16H32/c1-5-7-10-13(3)16(9-6-2)14(4)15-11-8-12-15/h13-16H,5-12H2,1-4H3
InChIKeyAAGQEIADFHUWEU-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds8

About (4-methyl-3-propyloctan-2-yl)cyclobutane

(4-methyl-3-propyloctan-2-yl)cyclobutane (PubChem CID 20695675) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is (4-methyl-3-propyloctan-2-yl)cyclobutane.

Molecular Properties

Compound Name(4-methyl-3-propyloctan-2-yl)cyclobutane
PubChem CID20695675
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name(4-methyl-3-propyloctan-2-yl)cyclobutane
SMILESCCCCC(C)C(CCC)C(C)C1CCC1
InChIInChI=1S/C16H32/c1-5-7-10-13(3)16(9-6-2)14(4)15-11-8-12-15/h13-16H,5-12H2,1-4H3
InChIKeyAAGQEIADFHUWEU-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

[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
3,5-dimethylnonan-2-ylcycloheptane
CID 123664073
1-cyclohexyl-2-methyl-N-propylhexan-1-amine
CID 114246260
4,5-dimethyldecan-3-ylcyclopentane
CID 167499527
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
1-cyclopropylpentylcycloheptane
CID 91177068
propane;propan-2-ylcyclopentane
CID 91615250
N-pentan-2-ylcyclooctanamine
CID 43079432
N-heptan-2-ylcycloheptanamine
CID 43082272
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine
CID 167083004
5-methyl-4-propan-2-yltetradecane
CID 123996280

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-propyloctan-2-yl)cyclobutane?
The IUPAC name of (4-methyl-3-propyloctan-2-yl)cyclobutane (CID 20695675) is (4-methyl-3-propyloctan-2-yl)cyclobutane.
What is the SMILES notation for (4-methyl-3-propyloctan-2-yl)cyclobutane?
The canonical SMILES for (4-methyl-3-propyloctan-2-yl)cyclobutane is CCCCC(C)C(CCC)C(C)C1CCC1.
What is the InChIKey of (4-methyl-3-propyloctan-2-yl)cyclobutane?
The InChIKey is AAGQEIADFHUWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-5-7-10-13(3)16(9-6-2)14(4)15-11-8-12-15/h13-16H,5-12H2,1-4H3.
What are the key properties of (4-methyl-3-propyloctan-2-yl)cyclobutane?
(4-methyl-3-propyloctan-2-yl)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 (4-methyl-3-propyloctan-2-yl)cyclobutane is sourced from PubChem (CID 20695675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).