5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene

C19H26 — CID 91054217

IUPAC5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene
SMILESC1=C2CCCCCCCCCCC2c2ccccc21
InChIInChI=1S/C19H26/c1-2-4-6-8-13-18-16(11-7-5-3-1)15-17-12-9-10-14-19(17)18/h9-10,12,14-15,18H,1-8,11,13H2
InChIKeySMPOEMXUKORNDH-UHFFFAOYSA-N
MW254.42 g/mol
LogP6.08
Rot. Bonds

About 5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene

5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene (PubChem CID 91054217) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene.

Molecular Properties

Compound Name5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene
PubChem CID91054217
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene
SMILESC1=C2CCCCCCCCCCC2c2ccccc21
InChIInChI=1S/C19H26/c1-2-4-6-8-13-18-16(11-7-5-3-1)15-17-12-9-10-14-19(17)18/h9-10,12,14-15,18H,1-8,11,13H2
InChIKeySMPOEMXUKORNDH-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 146502994
1,2,3,8b-tetrahydroindeno[1,2-c]pyrrole
CID 57101705
1-cyclohexyl-2-ethyl-1H-indene
CID 173422098
2-(2-cyclobutylphenyl)cycloheptan-1-one
CID 114605768
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CID 134861406
8,19-dimethylpentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene
CID 90184840
2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
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2-(2-cyclobutylphenyl)cyclohexan-1-one
CID 114605762
2-(2-methoxyphenyl)cycloheptan-1-one
CID 44718991
(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
CID 94603909
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CID 91157559

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene?
The IUPAC name of 5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene (CID 91054217) is 5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene.
What is the SMILES notation for 5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene?
The canonical SMILES for 5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene is C1=C2CCCCCCCCCCC2c2ccccc21.
What is the InChIKey of 5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene?
The InChIKey is SMPOEMXUKORNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-2-4-6-8-13-18-16(11-7-5-3-1)15-17-12-9-10-14-19(17)18/h9-10,12,14-15,18H,1-8,11,13H2.
What are the key properties of 5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene?
5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene has a molecular weight of 254.42 g/mol, XLogP of 6.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10,11,12,13,14-decahydro-4bH-cyclododeca[a]indene is sourced from PubChem (CID 91054217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).