(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene

C14H20 — CID 163531079

IUPAC(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene
SMILESC/C1=C/CCCCC2=CC=C(C1)C2C
InChIInChI=1S/C14H20/c1-11-6-4-3-5-7-13-8-9-14(10-11)12(13)2/h6,8-9,12H,3-5,7,10H2,1-2H3/b11-6-
InChIKeyDTATZFDFIJISSY-WDZFZDKYSA-N
MW188.31 g/mol
LogP4.40
Rot. Bonds

About (3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene

(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene (PubChem CID 163531079) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene.

Molecular Properties

Compound Name(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene
PubChem CID163531079
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene
SMILESC/C1=C/CCCCC2=CC=C(C1)C2C
InChIInChI=1S/C14H20/c1-11-6-4-3-5-7-13-8-9-14(10-11)12(13)2/h6,8-9,12H,3-5,7,10H2,1-2H3/b11-6-
InChIKeyDTATZFDFIJISSY-WDZFZDKYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.40
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

1-methylcyclohexene;hydrofluoride
CID 157219805
(3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one
CID 58612496
acetylene;1-methylcyclohexene
CID 145280126
carbanide;(1Z)-1-methylcyclooctene;platinum(2+)
CID 170661208
(5E)-5-methylcyclodec-5-en-1-one
CID 91999236
1-(3,4-dimethylcyclopentyl)cycloheptene
CID 153303899
6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene
CID 123418674
14,16-dimethyl-1-oxacyclohexadec-13-en-2-one
CID 78098447
3-methylbutan-2-ol;1-methylcyclohexene
CID 67860970
(6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one
CID 168932403
(12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane
CID 123277698
(1E)-1-cyclohexylcyclodecene
CID 139760930

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene?
The IUPAC name of (3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene (CID 163531079) is (3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene.
What is the SMILES notation for (3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene?
The canonical SMILES for (3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene is C/C1=C/CCCCC2=CC=C(C1)C2C.
What is the InChIKey of (3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene?
The InChIKey is DTATZFDFIJISSY-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H20/c1-11-6-4-3-5-7-13-8-9-14(10-11)12(13)2/h6,8-9,12H,3-5,7,10H2,1-2H3/b11-6-.
What are the key properties of (3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene?
(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene has a molecular weight of 188.31 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene is sourced from PubChem (CID 163531079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).