tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene

C12H14 — CID 13017125

IUPACtetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene
SMILESC1=CC23C=CC4C1C42CCCC3
InChIInChI=1S/C12H14/c1-2-6-12-9-3-7-11(12,5-1)8-4-10(9)12/h3-4,7-10H,1-2,5-6H2
InChIKeyFCHMVOPCFJQKCH-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.92
Rot. Bonds

About tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene

tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene (PubChem CID 13017125) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene.

Molecular Properties

Compound Nametetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene
PubChem CID13017125
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Nametetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene
SMILESC1=CC23C=CC4C1C42CCCC3
InChIInChI=1S/C12H14/c1-2-6-12-9-3-7-11(12,5-1)8-4-10(9)12/h3-4,7-10H,1-2,5-6H2
InChIKeyFCHMVOPCFJQKCH-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol
CID 95565391
(8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 152778289
1,4-dimethylbicyclo[3.2.0]hept-6-ene
CID 90487116
1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane
CID 102217747
(3aS,7aR)-1,1-dioxo-3,4,5,6,7,7a-hexahydro-2H-1-benzothiophen-3a-ol
CID 639732
1-hydroxyspiro[4.4]non-2-en-4-one
CID 14294736
spiro[4.14]nonadeca-1,3-diene
CID 59742110
spiro[4.10]pentadeca-1,3-diene
CID 59741946
spiro[4.7]dodeca-1,3-diene
CID 59742087
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
(1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol
CID 98162631
ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]
CID 153348404

Frequently Asked Questions

What is the IUPAC name of tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene?
The IUPAC name of tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene (CID 13017125) is tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene.
What is the SMILES notation for tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene?
The canonical SMILES for tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene is C1=CC23C=CC4C1C42CCCC3.
What is the InChIKey of tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene?
The InChIKey is FCHMVOPCFJQKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-2-6-12-9-3-7-11(12,5-1)8-4-10(9)12/h3-4,7-10H,1-2,5-6H2.
What are the key properties of tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene?
tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene has a molecular weight of 158.24 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene is sourced from PubChem (CID 13017125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).