1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane

C17H32 — CID 158943908

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
SMILESC1CCC2CCCCC2C1.CC1CCCCC1
InChIInChI=1S/C10H18.C7H14/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7/h9-10H,1-8H2;7H,2-6H2,1H3
InChIKeyJKOYERGQUSURQE-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.95
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane (PubChem CID 158943908) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
PubChem CID158943908
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
SMILESC1CCC2CCCCC2C1.CC1CCCCC1
InChIInChI=1S/C10H18.C7H14/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7/h9-10H,1-8H2;7H,2-6H2,1H3
InChIKeyJKOYERGQUSURQE-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclodecyl-6-methylcycloundecane
CID 123480440
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
CID 159863371
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
gallane;methylcyclohexane
CID 174461507
methane;methylcyclohexane
CID 143705611
ethane;methylcyclohexane;methylcyclopentane
CID 159395989

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane (CID 158943908) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane is C1CCC2CCCCC2C1.CC1CCCCC1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane?
The InChIKey is JKOYERGQUSURQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C7H14/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7/h9-10H,1-8H2;7H,2-6H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane is sourced from PubChem (CID 158943908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).