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

C13H18 — CID 59741943

IUPACspiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene]
SMILESC1=CC2(C=C1)CCC1CCCCC12
InChIInChI=1S/C13H18/c1-2-6-12-11(5-1)7-10-13(12)8-3-4-9-13/h3-4,8-9,11-12H,1-2,5-7,10H2
InChIKeyBRBVITGRKCSGSB-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.70
Rot. Bonds

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

spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene] (PubChem CID 59741943) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene].

Molecular Properties

Compound Namespiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene]
PubChem CID59741943
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Namespiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene]
SMILESC1=CC2(C=C1)CCC1CCCCC12
InChIInChI=1S/C13H18/c1-2-6-12-11(5-1)7-10-13(12)8-3-4-9-13/h3-4,8-9,11-12H,1-2,5-7,10H2
InChIKeyBRBVITGRKCSGSB-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]
CID 59742037
1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol
CID 90293907
6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 23383570
2-cyclononylcyclononane-1,1-diol
CID 23113232
(2R)-2-cyclohexyl-1,1-difluorocyclohexane
CID 125450825
acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
CID 174905675
(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 162534781
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 140839402
1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 83906776
diphenyl 3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1,1-dicarboxylate
CID 68743342

Frequently Asked Questions

What is the IUPAC name of spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene]?
The IUPAC name of spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene] (CID 59741943) is spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene].
What is the SMILES notation for spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene]?
The canonical SMILES for spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene] is C1=CC2(C=C1)CCC1CCCCC12.
What is the InChIKey of spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene]?
The InChIKey is BRBVITGRKCSGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-2-6-12-11(5-1)7-10-13(12)8-3-4-9-13/h3-4,8-9,11-12H,1-2,5-7,10H2.
What are the key properties of spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene]?
spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene] has a molecular weight of 174.29 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene] is sourced from PubChem (CID 59741943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).