6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene

C14H24O2 — CID 10466207

IUPAC6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C)C(OCC)(OCC)C1
InChIInChI=1S/C14H24O2/c1-6-15-14(16-7-2)10-13(11(3)4)9-8-12(14)5/h8,13H,3,6-7,9-10H2,1-2,4-5H3
InChIKeyPDWJHRYHNBSWDP-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds5

About 6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene

6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 10466207) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID10466207
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C)C(OCC)(OCC)C1
InChIInChI=1S/C14H24O2/c1-6-15-14(16-7-2)10-13(11(3)4)9-8-12(14)5/h8,13H,3,6-7,9-10H2,1-2,4-5H3
InChIKeyPDWJHRYHNBSWDP-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Carvyl acetate
CID 7335
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Carvyl acetate, (1S,5S)-
CID 81544
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
(-)-Carvyl acetate
CID 11964245
3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
3,3,4,11-Tetramethyl-8-prop-1-en-2-yl-1,5-dioxaspiro[5.5]undec-10-ene
CID 403153
2-methyl-2-[(4R)-4-methylcyclohexen-1-yl]-1,3-dioxolane
CID 139467954
(2E)-3-Cyclohexyl-2-buten-1-yl methyl carbonate
CID 11031157
Methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate
CID 11106628
[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane
CID 11253413

Frequently Asked Questions

What is the IUPAC name of 6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 10466207) is 6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(C)C(OCC)(OCC)C1.
What is the InChIKey of 6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is PDWJHRYHNBSWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-15-14(16-7-2)10-13(11(3)4)9-8-12(14)5/h8,13H,3,6-7,9-10H2,1-2,4-5H3.
What are the key properties of 6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 224.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 10466207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).