3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol

C14H24O2 — CID 173037705

IUPAC3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol
SMILESCCCCC(CC)COC1=CCCC(O)=C1
InChIInChI=1S/C14H24O2/c1-3-5-7-12(4-2)11-16-14-9-6-8-13(15)10-14/h9-10,12,15H,3-8,11H2,1-2H3
InChIKeyJTVWDHIEJTWUJY-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.34
Rot. Bonds7

About 3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol

3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol (PubChem CID 173037705) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol
PubChem CID173037705
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol
SMILESCCCCC(CC)COC1=CCCC(O)=C1
InChIInChI=1S/C14H24O2/c1-3-5-7-12(4-2)11-16-14-9-6-8-13(15)10-14/h9-10,12,15H,3-8,11H2,1-2H3
InChIKeyJTVWDHIEJTWUJY-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol
CID 134447520
(Z)-10-[(3E)-2,5-difluorohexa-1,3,5-trien-3-yl]oxy-5-propyldec-3-en-4-ol
CID 145107628
3-(3-Fluoro-4-methoxycyclohexa-2,4-dien-1-yl)propan-1-ol
CID 149055219
(1S,5S)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
CID 11062798
(1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol
CID 11333059
(E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol
CID 14983107
(1R,5R)-3-[(E)-2-methoxyethenyl]-5-methylcyclohex-2-en-1-ol
CID 102305765
2-(2-Ethylhexoxy)cyclohexa-1,3-diene
CID 19850583
16-(6-Ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6,10,14-trimethylhexadecan-6-ol
CID 59271514
16-(6-Ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6,10,14-trimethylhexadecan-6-ol
CID 59271515
[3-(2-Methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol
CID 67489408
5-Cyclopropyl-2-methoxycyclohexa-1,3-dien-1-ol
CID 68251926

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol (CID 173037705) is 3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol is CCCCC(CC)COC1=CCCC(O)=C1.
What is the InChIKey of 3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol?
The InChIKey is JTVWDHIEJTWUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-7-12(4-2)11-16-14-9-6-8-13(15)10-14/h9-10,12,15H,3-8,11H2,1-2H3.
What are the key properties of 3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol?
3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol has a molecular weight of 224.34 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 173037705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).