8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane

C12H20 — CID 173198158

IUPAC8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane
SMILESC.CC12CC=CCC1C=CCC2
InChIInChI=1S/C11H16.CH4/c1-11-8-4-2-6-10(11)7-3-5-9-11;/h2-4,7,10H,5-6,8-9H2,1H3;1H4
InChIKeyZFNKIGXIPJPKOY-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds

About 8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane

8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane (PubChem CID 173198158) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane.

Molecular Properties

Compound Name8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane
PubChem CID173198158
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane
SMILESC.CC12CC=CCC1C=CCC2
InChIInChI=1S/C11H16.CH4/c1-11-8-4-2-6-10(11)7-3-5-9-11;/h2-4,7,10H,5-6,8-9H2,1H3;1H4
InChIKeyZFNKIGXIPJPKOY-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(+-)-alpha-Pinene
CID 6654
alpha-Pinene, (+)-
CID 82227
(-)-alpha-Pinene
CID 440968
Valencene
CID 9855795
beta-Cadinene
CID 10657
delta-Cadinene
CID 441005
Elemene
CID 12309449
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
4-Carene, (1S,3R,6R)-(-)-
CID 530422
4a,5-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 288227
4-Tert-butylcyclohex-1-ene
CID 16688

Frequently Asked Questions

What is the IUPAC name of 8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane?
The IUPAC name of 8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane (CID 173198158) is 8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane.
What is the SMILES notation for 8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane?
The canonical SMILES for 8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane is C.CC12CC=CCC1C=CCC2.
What is the InChIKey of 8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane?
The InChIKey is ZFNKIGXIPJPKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.CH4/c1-11-8-4-2-6-10(11)7-3-5-9-11;/h2-4,7,10H,5-6,8-9H2,1H3;1H4.
What are the key properties of 8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane?
8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane has a molecular weight of 164.29 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2,4a,5,8-tetrahydro-1H-naphthalene;methane is sourced from PubChem (CID 173198158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).