2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene

C19H24 — CID 159909847

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene
SMILESC1CCC2CCCC2C1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C9H16/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1/h1-8H;8-9H,1-7H2
InChIKeyNXAWSNVYKJSISM-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.82
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene

2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene (PubChem CID 159909847) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene
PubChem CID159909847
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene
SMILESC1CCC2CCCC2C1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C9H16/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1/h1-8H;8-9H,1-7H2
InChIKeyNXAWSNVYKJSISM-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);ethane;tris(2-methylpropane);naphthalene;propane
CID 162282617
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
CID 161014557
1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,4-tetrahydronaphthalene
CID 166550494
benzene;cyclohexylcyclohexane
CID 160520949
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
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
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
naphthalene
CID 21288458
bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene
CID 162275077
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,7,7a-hexahydro-1H-indene;4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,4,4a,5,8,8a-octahydronaphthalene;2,3-dihydro-1H-indene;2,3,4,5,6,7-hexahydro-1H-indene;2,3,4,5,6,7,8,9-octahydro-1H-benzo[7]annulene;1,2,3,4,5,6,7,8-octahydronaphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
CID 158308483
tricyclo[11.9.0.05,8]docosane
CID 123241919

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene (CID 159909847) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene is C1CCC2CCCC2C1.c1ccc2ccccc2c1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene?
The InChIKey is NXAWSNVYKJSISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H16/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1/h1-8H;8-9H,1-7H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene?
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene has a molecular weight of 252.40 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene is sourced from PubChem (CID 159909847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).