tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene

C12H14 — CID 521932

IUPACtetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
SMILESC1=CC2CC3C=CC4CC1C2C43
InChIInChI=1S/C12H14/c1-2-8-6-10-4-3-9-5-7(1)11(8)12(9)10/h1-4,7-12H,5-6H2
InChIKeyFGZALOGDPFYZQX-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.63
Rot. Bonds

About tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene

tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene (PubChem CID 521932) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene.

Molecular Properties

Compound Nametetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
PubChem CID521932
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Nametetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
SMILESC1=CC2CC3C=CC4CC1C2C43
InChIInChI=1S/C12H14/c1-2-8-6-10-4-3-9-5-7(1)11(8)12(9)10/h1-4,7-12H,5-6H2
InChIKeyFGZALOGDPFYZQX-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
CID 95565725
tricyclo[3.2.1.02,4]oct-6-en-3-amine;hydrochloride
CID 54611381
trimethyl-[(1S,2S,3R,4R,5R,6R)-4-trimethylsilyl-3-tricyclo[4.2.1.02,5]non-7-enyl]silane
CID 101474513
(1R,2S,3S,4S,7S,8R,10S,11R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one
CID 98478068
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
15,16-diazahexacyclo[6.6.2.23,6.110,13.02,7.09,14]nonadeca-4,11,15-triene
CID 11837592
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
CID 14458344
hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4,5-diol
CID 139797029
(1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 124560087

Frequently Asked Questions

What is the IUPAC name of tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene?
The IUPAC name of tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene (CID 521932) is tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene.
What is the SMILES notation for tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene?
The canonical SMILES for tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene is C1=CC2CC3C=CC4CC1C2C43.
What is the InChIKey of tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene?
The InChIKey is FGZALOGDPFYZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-2-8-6-10-4-3-9-5-7(1)11(8)12(9)10/h1-4,7-12H,5-6H2.
What are the key properties of tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene?
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene has a molecular weight of 158.24 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene is sourced from PubChem (CID 521932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).