3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol

C10H18O2 — CID 130122076

IUPAC3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol
SMILESCCOC1=CC(O)CC(C)(C)C1
InChIInChI=1S/C10H18O2/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5,8,11H,4,6-7H2,1-3H3
InChIKeyFWSXPHNNCQJFEF-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.09
Rot. Bonds2

About 3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol

3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 130122076) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID130122076
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol
SMILESCCOC1=CC(O)CC(C)(C)C1
InChIInChI=1S/C10H18O2/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5,8,11H,4,6-7H2,1-3H3
InChIKeyFWSXPHNNCQJFEF-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 129703996
3,3,7-Trimethyloct-6-ene-1,5-diol
CID 526767
1,3-Diethoxy-5,5-dimethylcyclohexene
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8-(2-Methylpropoxy)spiro[3.5]non-7-en-6-ol
CID 21133265
2,6,6-Trimethyl-4-ethoxy-1,3-cyclohexadien-1-methanol
CID 21519463
[3-(2-Methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol
CID 67489408
5,5-Dimethylcyclohexene-1,3-diol
CID 67615221
1-[4-(Oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol
CID 90928239
3-Methoxy-6,6-dimethylcyclohex-2-en-1-ol
CID 143797256
CID 160911689
CID 160911689
1-hydroxypentan-2-yl-[(3S,4S)-3-methoxy-4-methylcyclohexen-1-yl]oxidanium
CID 163551148
(2E)-2-(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)ethanol
CID 169718098

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol (CID 130122076) is 3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol is CCOC1=CC(O)CC(C)(C)C1.
What is the InChIKey of 3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is FWSXPHNNCQJFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5,8,11H,4,6-7H2,1-3H3.
What are the key properties of 3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol?
3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 130122076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).