1-butyl-3-ethoxycyclohex-2-en-1-ol

C12H22O2 — CID 101150248

IUPAC1-butyl-3-ethoxycyclohex-2-en-1-ol
SMILESCCCCC1(O)C=C(OCC)CCC1
InChIInChI=1S/C12H22O2/c1-3-5-8-12(13)9-6-7-11(10-12)14-4-2/h10,13H,3-9H2,1-2H3
InChIKeyYIMQXCZNMOTKKF-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.01
Rot. Bonds5

About 1-butyl-3-ethoxycyclohex-2-en-1-ol

1-butyl-3-ethoxycyclohex-2-en-1-ol (PubChem CID 101150248) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-butyl-3-ethoxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-butyl-3-ethoxycyclohex-2-en-1-ol
PubChem CID101150248
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-butyl-3-ethoxycyclohex-2-en-1-ol
SMILESCCCCC1(O)C=C(OCC)CCC1
InChIInChI=1S/C12H22O2/c1-3-5-8-12(13)9-6-7-11(10-12)14-4-2/h10,13H,3-9H2,1-2H3
InChIKeyYIMQXCZNMOTKKF-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-phenylselenonylcyclohex-2-en-1-ol
CID 12757736
1-butyl-4,4-difluorocyclohex-2-en-1-ol
CID 165497636
ethyl 2-[1-hydroxy-3-(2-methylheptyl)cyclohex-2-en-1-yl]acetate
CID 21399133
3-ethoxy-1-methyl-6-propylcyclohex-2-en-1-ol
CID 10081455
1-butyl-3-phenylcyclobut-2-en-1-ol
CID 12059929
1-butyl-2-methylidenecyclopentan-1-ol
CID 11469189
3,3-dibutylcyclohexene-1,2-dicarboxylic acid
CID 168756725
1-heptylcyclohex-2-en-1-ol
CID 86052671
(1E)-1-ethoxycyclodecene;(1E)-1-ethoxycyclododecene;1-ethoxycycloheptene;1-ethoxycyclohexene;(1E)-1-ethoxycyclononene;(1E)-1-ethoxycyclooctene;(1E)-1-ethoxycyclotetradecene;(1E)-1-ethoxycyclotridecene;(1E)-1-ethoxycycloundecene
CID 165044943
(1E)-1-ethoxycyclodecene
CID 164771748
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
(4-ethoxyphenyl) 1-butylcyclohexane-1-carboxylate
CID 54203022

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethoxycyclohex-2-en-1-ol?
The IUPAC name of 1-butyl-3-ethoxycyclohex-2-en-1-ol (CID 101150248) is 1-butyl-3-ethoxycyclohex-2-en-1-ol.
What is the SMILES notation for 1-butyl-3-ethoxycyclohex-2-en-1-ol?
The canonical SMILES for 1-butyl-3-ethoxycyclohex-2-en-1-ol is CCCCC1(O)C=C(OCC)CCC1.
What is the InChIKey of 1-butyl-3-ethoxycyclohex-2-en-1-ol?
The InChIKey is YIMQXCZNMOTKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-8-12(13)9-6-7-11(10-12)14-4-2/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-butyl-3-ethoxycyclohex-2-en-1-ol?
1-butyl-3-ethoxycyclohex-2-en-1-ol has a molecular weight of 198.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethoxycyclohex-2-en-1-ol is sourced from PubChem (CID 101150248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).