(1E)-1,2-dimethylcyclotetradecene

C16H30 — CID 6537103

IUPAC(1E)-1,2-dimethylcyclotetradecene
SMILESC/C1=C(/C)CCCCCCCCCCCC1
InChIInChI=1S/C16H30/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-16(15)2/h3-14H2,1-2H3/b16-15+
InChIKeyRULQYUKGTDEPOT-FOCLMDBBSA-N
MW222.42 g/mol
LogP6.02
Rot. Bonds

About (1E)-1,2-dimethylcyclotetradecene

(1E)-1,2-dimethylcyclotetradecene (PubChem CID 6537103) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is (1E)-1,2-dimethylcyclotetradecene.

Molecular Properties

Compound Name(1E)-1,2-dimethylcyclotetradecene
PubChem CID6537103
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name(1E)-1,2-dimethylcyclotetradecene
SMILESC/C1=C(/C)CCCCCCCCCCCC1
InChIInChI=1S/C16H30/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-16(15)2/h3-14H2,1-2H3/b16-15+
InChIKeyRULQYUKGTDEPOT-FOCLMDBBSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.02
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

Cyclopentene, 1-ethyl-2-methyl-
CID 88243
2-Methyl-2-undecene
CID 549973
1,2-Dimethylcyclohexene
CID 15480
Cyclohexene, 1-ethyl-2-methyl-
CID 88242
4-Nonene, 5-butyl-
CID 300477
7-Methyl-6-tridecene
CID 5364660
8-Heptadecene, 9-octyl-
CID 292287
2-Heptene, 2,3-dimethyl-
CID 137816
2-Octene, 2,3-dimethyl-
CID 140599
Cycloheptene, 1,2-dimethyl-
CID 519742
2-Nonene, 3-methyl-, (E)-
CID 5366150
Bicyclo[7.7.0]hexadec-1(9)-ene
CID 534882

Frequently Asked Questions

What is the IUPAC name of (1E)-1,2-dimethylcyclotetradecene?
The IUPAC name of (1E)-1,2-dimethylcyclotetradecene (CID 6537103) is (1E)-1,2-dimethylcyclotetradecene.
What is the SMILES notation for (1E)-1,2-dimethylcyclotetradecene?
The canonical SMILES for (1E)-1,2-dimethylcyclotetradecene is C/C1=C(/C)CCCCCCCCCCCC1.
What is the InChIKey of (1E)-1,2-dimethylcyclotetradecene?
The InChIKey is RULQYUKGTDEPOT-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H30/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-16(15)2/h3-14H2,1-2H3/b16-15+.
What are the key properties of (1E)-1,2-dimethylcyclotetradecene?
(1E)-1,2-dimethylcyclotetradecene has a molecular weight of 222.42 g/mol, XLogP of 6.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1,2-dimethylcyclotetradecene is sourced from PubChem (CID 6537103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).