(2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene

C12H12 — CID 101404891

IUPAC(2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene
SMILESC1=CC2C=CC3C4C=CC1C2C43
InChIInChI=1S/C12H12/c1-2-8-4-6-10-9-5-3-7(1)11(8)12(9)10/h1-12H
InChIKeyKOFUSYLLQUHVFO-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.41
Rot. Bonds

About (2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene

(2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene (PubChem CID 101404891) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is (2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene.

Molecular Properties

Compound Name(2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene
PubChem CID101404891
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name(2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene
SMILESC1=CC2C=CC3C4C=CC1C2C43
InChIInChI=1S/C12H12/c1-2-8-4-6-10-9-5-3-7(1)11(8)12(9)10/h1-12H
InChIKeyKOFUSYLLQUHVFO-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.41
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

(3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene
CID 101488483
(2R,7S,9R,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11,15,17,19-pentaene
CID 102306199
(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene
CID 121002324
dimethyl hexacyclo[9.3.2.25,8.02,14.03,10.04,9]octadeca-6,12,15,17-tetraene-6,7-dicarboxylate
CID 3471455
tetracyclo[5.4.0.02,11.03,6]undeca-4,9-dien-8-ol
CID 130151122
(1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene
CID 124920621
[(1S,4R,6S,9R)-12-(hydroxymethyl)-5-tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-dienyl]methanol
CID 12573128
(1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol
CID 99958168
tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione
CID 14893582
(1R,4R,6S,9S)-tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene-5,12-dicarboxylic acid
CID 98164101
(1R,4R,7R,10R)-2-[(1R,4S,7S,10S)-2-tricyclo[5.2.1.04,10]deca-2,5,8-trienyl]tricyclo[5.2.1.04,10]deca-2,5,8-triene
CID 125036364
8,8-dideuteriotricyclo[5.2.1.04,10]deca-2,5-diene
CID 90487416

Frequently Asked Questions

What is the IUPAC name of (2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene?
The IUPAC name of (2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene (CID 101404891) is (2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene.
What is the SMILES notation for (2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene?
The canonical SMILES for (2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene is C1=CC2C=CC3C4C=CC1C2C43.
What is the InChIKey of (2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene?
The InChIKey is KOFUSYLLQUHVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-2-8-4-6-10-9-5-3-7(1)11(8)12(9)10/h1-12H.
What are the key properties of (2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene?
(2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene has a molecular weight of 156.23 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene is sourced from PubChem (CID 101404891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).