5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde

C15H24O3 — CID 10514984

IUPAC5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESC=CC(OCOC)C1CCC(C)=C(C=O)C1(C)C
InChIInChI=1S/C15H24O3/c1-6-14(18-10-17-5)12-8-7-11(2)13(9-16)15(12,3)4/h6,9,12,14H,1,7-8,10H2,2-5H3
InChIKeyZAKGHEJYDQVUPB-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.11
Rot. Bonds6

About 5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde

5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde (PubChem CID 10514984) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde
PubChem CID10514984
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESC=CC(OCOC)C1CCC(C)=C(C=O)C1(C)C
InChIInChI=1S/C15H24O3/c1-6-14(18-10-17-5)12-8-7-11(2)13(9-16)15(12,3)4/h6,9,12,14H,1,7-8,10H2,2-5H3
InChIKeyZAKGHEJYDQVUPB-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-6-prop-2-enylcyclohexene-1-carbaldehyde
CID 121014603
2,6,6-tri((113C)methyl)(1,2,3,4,5,6-13C6)cyclohexene-1-carbaldehyde
CID 11228964
[(2R,3aR,4S,7aS)-2-[1-(methoxymethoxy)prop-2-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 10247580
(2R,5R)-2-[(E,1R)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5R)-5-[(E,1R)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane
CID 10547146
(3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-enal
CID 124706016
1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde
CID 14778498
2-[(5R)-5-[(E,1S)-7-iodo-1-methoxyhept-4-en-2,6-diynyl]-2,6,6-trimethylcyclohexen-1-yl]acetaldehyde
CID 102094190
2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane
CID 24862521
(E)-1-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
CID 70560844
(2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane
CID 24862522
(3R)-3-(methoxymethoxy)pent-4-en-2-one
CID 102143717
5-[2-(1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl)ethyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 162814386

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The IUPAC name of 5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde (CID 10514984) is 5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The canonical SMILES for 5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde is C=CC(OCOC)C1CCC(C)=C(C=O)C1(C)C.
What is the InChIKey of 5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde?
The InChIKey is ZAKGHEJYDQVUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-14(18-10-17-5)12-8-7-11(2)13(9-16)15(12,3)4/h6,9,12,14H,1,7-8,10H2,2-5H3.
What are the key properties of 5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde?
5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde has a molecular weight of 252.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methoxymethoxy)prop-2-enyl]-2,6,6-trimethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 10514984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).