(1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate

C15H22O2 — CID 141493931

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate
SMILESCC1C=CC=CC1(C)OC(=O)C1CCCCC1
InChIInChI=1S/C15H22O2/c1-12-8-6-7-11-15(12,2)17-14(16)13-9-4-3-5-10-13/h6-8,11-13H,3-5,9-10H2,1-2H3
InChIKeyRPSSHTMHUNKCFO-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.63
Rot. Bonds2

About (1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate

(1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate (PubChem CID 141493931) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate
PubChem CID141493931
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate
SMILESCC1C=CC=CC1(C)OC(=O)C1CCCCC1
InChIInChI=1S/C15H22O2/c1-12-8-6-7-11-15(12,2)17-14(16)13-9-4-3-5-10-13/h6-8,11-13H,3-5,9-10H2,1-2H3
InChIKeyRPSSHTMHUNKCFO-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Tert-butylcyclohexen-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 10637122
Bis(1-butylphenyl)adipate
CID 66661159
(1,6-Difluorocyclohexa-2,4-dien-1-yl) 4-pentylcyclohexane-1-carboxylate
CID 23193014
(1,6-Difluorocyclohexa-2,4-dien-1-yl) 4-butylcyclohexane-1-carboxylate
CID 23222847
(2,3-Difluoro-4-methylcyclohexa-1,5-dien-1-yl) 4-methylcyclohexane-1-carboxylate
CID 20742508
Cyclohexa-1,5-dien-1-yl cyclohexanecarboxylate
CID 19982948
(1-Methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 22967732
(1-Methylcyclohexyl) 4-(2,5-dimethylhexan-3-yl)cyclohexa-1,3-diene-1-carboxylate
CID 68384351
(1-Cyclohexylcyclohexa-2,4-dien-1-yl) prop-2-enoate
CID 68753368
(1-Methylcyclohexyl) 6-methylcyclohexa-1,3-diene-1-carboxylate
CID 70938684
tert-butyl 1-[(1E)-buta-1,3-dienyl]cyclohexane-1-carboxylate
CID 88429085
6-Acetyloxy-6-butylcyclohexa-2,4-diene-1-carboxylic acid
CID 126736205

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate (CID 141493931) is (1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate is CC1C=CC=CC1(C)OC(=O)C1CCCCC1.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate?
The InChIKey is RPSSHTMHUNKCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12-8-6-7-11-15(12,2)17-14(16)13-9-4-3-5-10-13/h6-8,11-13H,3-5,9-10H2,1-2H3.
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate?
(1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate has a molecular weight of 234.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl) cyclohexanecarboxylate is sourced from PubChem (CID 141493931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).