(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

C11H19Cl — CID 640677

IUPAC(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESC[C@]12CCCC[C@@H]1CC[C@@H](Cl)C2
InChIInChI=1S/C11H19Cl/c1-11-7-3-2-4-9(11)5-6-10(12)8-11/h9-10H,2-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyQQNQHPISKVULJH-GMTAPVOTSA-N
MW186.73 g/mol
LogP3.97
Rot. Bonds

About (2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (PubChem CID 640677) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is (2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.

Molecular Properties

Compound Name(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
PubChem CID640677
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESC[C@]12CCCC[C@@H]1CC[C@@H](Cl)C2
InChIInChI=1S/C11H19Cl/c1-11-7-3-2-4-9(11)5-6-10(12)8-11/h9-10H,2-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyQQNQHPISKVULJH-GMTAPVOTSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-1-methylcyclopentyl)cycloheptane
CID 116540220
(2R,4aR)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 169205575
(1-methylcyclopentyl)cyclohexane
CID 13217819
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
(3aS,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-2-carboxylic acid
CID 130764332
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
4-(1-methylcyclopentyl)cyclohexan-1-ol
CID 69367175
(1,3-dimethylcyclobutyl)cyclopentane
CID 146720306
6-cycloundecyl-6-methyldiazecane
CID 126582920
3-cyclohexyl-3-methylpiperidine;hydrochloride
CID 69054070
(2R,6aS)-2-fluoro-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 170095403
4-cyclohexyl-4-methyloxane
CID 58667675

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The IUPAC name of (2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (CID 640677) is (2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
What is the SMILES notation for (2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The canonical SMILES for (2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is C[C@]12CCCC[C@@H]1CC[C@@H](Cl)C2.
What is the InChIKey of (2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The InChIKey is QQNQHPISKVULJH-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H19Cl/c1-11-7-3-2-4-9(11)5-6-10(12)8-11/h9-10H,2-8H2,1H3/t9-,10-,11-/m1/s1.
What are the key properties of (2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
(2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene has a molecular weight of 186.73 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8aR)-2-chloro-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is sourced from PubChem (CID 640677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).