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

C18H34 — CID 173085914

IUPAC1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
SMILESCC1CCCC2CCCCC12.CC1CCCCC1
InChIInChI=1S/C11H20.C7H14/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7/h9-11H,2-8H2,1H3;7H,2-6H2,1H3
InChIKeyIGZOBONMWQYRPI-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.20
Rot. Bonds

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

1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane (PubChem CID 173085914) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane.

Molecular Properties

Compound Name1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
PubChem CID173085914
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
SMILESCC1CCCC2CCCCC12.CC1CCCCC1
InChIInChI=1S/C11H20.C7H14/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7/h9-11H,2-8H2,1H3;7H,2-6H2,1H3
InChIKeyIGZOBONMWQYRPI-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
CID 158906506
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
1,3-dicyclohexyl-2,7-dimethylcyclodecane
CID 20676902
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
2-methylbicyclo[5.2.0]nonane
CID 90842882
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane?
The IUPAC name of 1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane (CID 173085914) is 1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane.
What is the SMILES notation for 1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane?
The canonical SMILES for 1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane is CC1CCCC2CCCCC12.CC1CCCCC1.
What is the InChIKey of 1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane?
The InChIKey is IGZOBONMWQYRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C7H14/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7/h9-11H,2-8H2,1H3;7H,2-6H2,1H3.
What are the key properties of 1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane?
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane has a molecular weight of 250.47 g/mol, XLogP of 6.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane is sourced from PubChem (CID 173085914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).