1-(3-butylheptyl)-6-methylcyclodecane

C22H44 — CID 135036007

IUPAC1-(3-butylheptyl)-6-methylcyclodecane
SMILESCCCCC(CCCC)CCC1CCCCC(C)CCCC1
InChIInChI=1S/C22H44/c1-4-6-14-21(15-7-5-2)18-19-22-16-10-8-12-20(3)13-9-11-17-22/h20-22H,4-19H2,1-3H3
InChIKeyHLHIKJPUVXZDRH-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.15
Rot. Bonds9

About 1-(3-butylheptyl)-6-methylcyclodecane

1-(3-butylheptyl)-6-methylcyclodecane (PubChem CID 135036007) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 1-(3-butylheptyl)-6-methylcyclodecane.

Molecular Properties

Compound Name1-(3-butylheptyl)-6-methylcyclodecane
PubChem CID135036007
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name1-(3-butylheptyl)-6-methylcyclodecane
SMILESCCCCC(CCCC)CCC1CCCCC(C)CCCC1
InChIInChI=1S/C22H44/c1-4-6-14-21(15-7-5-2)18-19-22-16-10-8-12-20(3)13-9-11-17-22/h20-22H,4-19H2,1-3H3
InChIKeyHLHIKJPUVXZDRH-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-4-methylcyclooctane
CID 123623113
[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane
CID 71438405
1-methyl-5-propylcyclononane
CID 54361658
(7-methyl-3-propylundecyl)cyclopropane
CID 123743915
1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane
CID 163917952
1-methyl-4-pentylcycloheptane
CID 123318058
3-ethylhexylcyclopentane
CID 123372890
1-(4-butyloctyl)-3-methylcyclopentane
CID 123934919
ethane;methylcyclohexane;2-methylhexane
CID 142043372
1-cyclopentyl-5-ethyl-N-methylnonan-3-amine
CID 115806235
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
1-methyl-4-propylcycloheptane
CID 90967653

Frequently Asked Questions

What is the IUPAC name of 1-(3-butylheptyl)-6-methylcyclodecane?
The IUPAC name of 1-(3-butylheptyl)-6-methylcyclodecane (CID 135036007) is 1-(3-butylheptyl)-6-methylcyclodecane.
What is the SMILES notation for 1-(3-butylheptyl)-6-methylcyclodecane?
The canonical SMILES for 1-(3-butylheptyl)-6-methylcyclodecane is CCCCC(CCCC)CCC1CCCCC(C)CCCC1.
What is the InChIKey of 1-(3-butylheptyl)-6-methylcyclodecane?
The InChIKey is HLHIKJPUVXZDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-4-6-14-21(15-7-5-2)18-19-22-16-10-8-12-20(3)13-9-11-17-22/h20-22H,4-19H2,1-3H3.
What are the key properties of 1-(3-butylheptyl)-6-methylcyclodecane?
1-(3-butylheptyl)-6-methylcyclodecane has a molecular weight of 308.59 g/mol, XLogP of 8.15, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butylheptyl)-6-methylcyclodecane is sourced from PubChem (CID 135036007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).