spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]

C14H24 — CID 123272406

IUPACspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]
SMILESC1CCC2(CC1)CC1CCCCC1C2
InChIInChI=1S/C14H24/c1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)11-14/h12-13H,1-11H2
InChIKeyBDZBFYDTQRZILZ-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.54
Rot. Bonds

About spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]

spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane] (PubChem CID 123272406) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane].

Molecular Properties

Compound Namespiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]
PubChem CID123272406
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Namespiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]
SMILESC1CCC2(CC1)CC1CCCCC1C2
InChIInChI=1S/C14H24/c1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)11-14/h12-13H,1-11H2
InChIKeyBDZBFYDTQRZILZ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane] with MolForge

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Related Compounds

6-fluorospiro[7.7]pentadecane
CID 129221884
spiro[4.5]decane-2,3-diol
CID 12530979
10-spiro[5.5]undecan-4-yl-1,4-diazaspiro[5.5]undecane
CID 138751441
10-cyclopropyl-3-azaspiro[5.5]undecane
CID 64623012
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
ethane;2-methylspiro[3.5]nonane
CID 164868147
cyclononylcycloicosane
CID 123187062
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
(4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride
CID 131865526
2,4-difluorospiro[5.6]dodecane
CID 70974173
(2S,3S)-2,3-dimethylspiro[4.4]nonane
CID 58622704

Frequently Asked Questions

What is the IUPAC name of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]?
The IUPAC name of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane] (CID 123272406) is spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane].
What is the SMILES notation for spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]?
The canonical SMILES for spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane] is C1CCC2(CC1)CC1CCCCC1C2.
What is the InChIKey of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]?
The InChIKey is BDZBFYDTQRZILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)11-14/h12-13H,1-11H2.
What are the key properties of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]?
spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane] has a molecular weight of 192.35 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane] is sourced from PubChem (CID 123272406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).