1,3-diethoxy-5,5-dimethylcyclohexene

C12H22O2 — CID 10899609

IUPAC1,3-diethoxy-5,5-dimethylcyclohexene
SMILESCCOC1=CC(OCC)CC(C)(C)C1
InChIInChI=1S/C12H22O2/c1-5-13-10-7-11(14-6-2)9-12(3,4)8-10/h7,10H,5-6,8-9H2,1-4H3
InChIKeyPBGGRKMUGMVYIH-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds4

About 1,3-diethoxy-5,5-dimethylcyclohexene

1,3-diethoxy-5,5-dimethylcyclohexene (PubChem CID 10899609) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,3-diethoxy-5,5-dimethylcyclohexene.

Molecular Properties

Compound Name1,3-diethoxy-5,5-dimethylcyclohexene
PubChem CID10899609
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1,3-diethoxy-5,5-dimethylcyclohexene
SMILESCCOC1=CC(OCC)CC(C)(C)C1
InChIInChI=1S/C12H22O2/c1-5-13-10-7-11(14-6-2)9-12(3,4)8-10/h7,10H,5-6,8-9H2,1-4H3
InChIKeyPBGGRKMUGMVYIH-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Diethoxy-5,5-dimethylcyclohexenylium perchlorate
CID 15626777
2-Methoxy-4-propyl-(4-propylguaiacol)
CID 129865681
[3-(2-Methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol
CID 67489408
1,5,5-Trimethyl-3-(3-methylbut-2-enoxy)cyclohexene
CID 71140432
(3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene
CID 71140433
1,3-Dimethoxy-5-methylcyclohexene
CID 123659997
3-Ethoxy-5,5-dimethylcyclohex-2-en-1-ol
CID 130122076
1,3-Dipropoxycyclohexene
CID 141951114
3-Methoxy-6,6-dimethylcyclohex-2-en-1-ol
CID 143797256
6-Ethoxy-4-(3-ethoxyprop-1-en-2-yl)-1-methylcyclohexene
CID 162686826
4-Ethyl-1,3-dimethoxy-6-methylcyclohexene
CID 163495320
2-Bromo-1,3-diethoxy-5,5-dimethylcyclohexene
CID 11219635

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-5,5-dimethylcyclohexene?
The IUPAC name of 1,3-diethoxy-5,5-dimethylcyclohexene (CID 10899609) is 1,3-diethoxy-5,5-dimethylcyclohexene.
What is the SMILES notation for 1,3-diethoxy-5,5-dimethylcyclohexene?
The canonical SMILES for 1,3-diethoxy-5,5-dimethylcyclohexene is CCOC1=CC(OCC)CC(C)(C)C1.
What is the InChIKey of 1,3-diethoxy-5,5-dimethylcyclohexene?
The InChIKey is PBGGRKMUGMVYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-13-10-7-11(14-6-2)9-12(3,4)8-10/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of 1,3-diethoxy-5,5-dimethylcyclohexene?
1,3-diethoxy-5,5-dimethylcyclohexene has a molecular weight of 198.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-5,5-dimethylcyclohexene is sourced from PubChem (CID 10899609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).