(1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene

C12H18 — CID 121014169

IUPAC(1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene
SMILESC/C1=C/C=C\C=C(/C)CCCC1
InChIInChI=1S/C12H18/c1-11-7-3-5-9-12(2)10-6-4-8-11/h3,5,7,9H,4,6,8,10H2,1-2H3/b5-3-,11-7-,12-9+
InChIKeySIXJQRACPATTOS-ZEZLTKCGSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds

About (1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene

(1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene (PubChem CID 121014169) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene
PubChem CID121014169
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene
SMILESC/C1=C/C=C\C=C(/C)CCCC1
InChIInChI=1S/C12H18/c1-11-7-3-5-9-12(2)10-6-4-8-11/h3,5,7,9H,4,6,8,10H2,1-2H3/b5-3-,11-7-,12-9+
InChIKeySIXJQRACPATTOS-ZEZLTKCGSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1Z,3Z)-1-methylcyclodeca-1,3-diene
CID 142058765
1-methylcyclodeca-1,3-diene
CID 123810679
ethane;1-methylcyclohexa-1,3-diene
CID 91025584
4-methylcyclohepta-1,3-diene-1-thiol
CID 130240068
methanamine;1-methylcyclohexa-1,3-diene
CID 142425195
5-methylcyclohepta-2,4-diene-1-thione
CID 123689242
1-methylcyclohexene;hydrofluoride
CID 157219805
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028
1-tert-butyl-4-methylcyclohepta-1,3-diene
CID 90801662
acetylene;1-methylcyclohexene
CID 145280126
(5E)-5-methylcyclodec-5-en-1-one
CID 91999236
5-bromo-1-methylcyclohepta-1,3-diene
CID 143519480

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene (CID 121014169) is (1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene is C/C1=C/C=C\C=C(/C)CCCC1.
What is the InChIKey of (1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene?
The InChIKey is SIXJQRACPATTOS-ZEZLTKCGSA-N. The full InChI is InChI=1S/C12H18/c1-11-7-3-5-9-12(2)10-6-4-8-11/h3,5,7,9H,4,6,8,10H2,1-2H3/b5-3-,11-7-,12-9+.
What are the key properties of (1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene?
(1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene is sourced from PubChem (CID 121014169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).