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

C11H19Cl3 — CID 159161926

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform
SMILESC1CCC2CCCCC2C1.ClC(Cl)Cl
InChIInChI=1S/C10H18.CHCl3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h9-10H,1-8H2;1H
InChIKeyKKPBAIACARPFOQ-UHFFFAOYSA-N
MW257.63 g/mol
LogP5.35
Rot. Bonds

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

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform (PubChem CID 159161926) has the molecular formula C11H19Cl3 and a molecular weight of 257.63 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform
PubChem CID159161926
Molecular FormulaC11H19Cl3
Molecular Weight257.63 g/mol
Exact Mass256.06
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform
SMILESC1CCC2CCCCC2C1.ClC(Cl)Cl
InChIInChI=1S/C10H18.CHCl3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h9-10H,1-8H2;1H
InChIKeyKKPBAIACARPFOQ-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.63
LogP ≤ 55.35
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

(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclopentylcyclopentane;phosphane
CID 174792657
cyclohexylcycloheptane
CID 524589
CID 175877016
CID 175877016
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;λ2-plumbane
CID 173135911
cyclononylcycloicosane
CID 123187062
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform (CID 159161926) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform is C1CCC2CCCCC2C1.ClC(Cl)Cl.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform?
The InChIKey is KKPBAIACARPFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.CHCl3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h9-10H,1-8H2;1H.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chloroform has a molecular weight of 257.63 g/mol, XLogP of 5.35, 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;chloroform is sourced from PubChem (CID 159161926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).