spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]

C14H16 — CID 101167605

IUPACspiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]
SMILESc1ccc2c(c1)CC21C2CCCCC21
InChIInChI=1S/C14H16/c1-2-6-11-10(5-1)9-14(11)12-7-3-4-8-13(12)14/h1-2,5-6,12-13H,3-4,7-9H2
InChIKeyOCRKGTJEQNQKNC-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.30
Rot. Bonds

About spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]

spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene] (PubChem CID 101167605) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene].

Molecular Properties

Compound Namespiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]
PubChem CID101167605
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Namespiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]
SMILESc1ccc2c(c1)CC21C2CCCCC21
InChIInChI=1S/C14H16/c1-2-6-11-10(5-1)9-14(11)12-7-3-4-8-13(12)14/h1-2,5-6,12-13H,3-4,7-9H2
InChIKeyOCRKGTJEQNQKNC-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene] with MolForge

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Related Compounds

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CID 89494612
pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene
CID 102574244
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;hydrate;hydrochloride
CID 141299651
7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene
CID 168862881
(4bS,8aR,9S)-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine
CID 124676605
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]
CID 10749210
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CID 134980767
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;pyridine
CID 174749562
CID 11673102
CID 11673102
(4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine
CID 70658400
cyclohexanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
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Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]?
The IUPAC name of spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene] (CID 101167605) is spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene].
What is the SMILES notation for spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]?
The canonical SMILES for spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene] is c1ccc2c(c1)CC21C2CCCCC21.
What is the InChIKey of spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]?
The InChIKey is OCRKGTJEQNQKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-2-6-11-10(5-1)9-14(11)12-7-3-4-8-13(12)14/h1-2,5-6,12-13H,3-4,7-9H2.
What are the key properties of spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]?
spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene] has a molecular weight of 184.28 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene] is sourced from PubChem (CID 101167605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).