1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene

C18H30O3 — CID 11109179

IUPAC1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene
SMILESC=C1C(C(C=C(C)C)OCOC)=C(OCC)CCC1(C)C
InChIInChI=1S/C18H30O3/c1-8-20-15-9-10-18(5,6)14(4)17(15)16(11-13(2)3)21-12-19-7/h11,16H,4,8-10,12H2,1-3,5-7H3
InChIKeyLKQIRUJWPFDQQO-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.61
Rot. Bonds7

About 1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene

1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene (PubChem CID 11109179) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene.

Molecular Properties

Compound Name1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene
PubChem CID11109179
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene
SMILESC=C1C(C(C=C(C)C)OCOC)=C(OCC)CCC1(C)C
InChIInChI=1S/C18H30O3/c1-8-20-15-9-10-18(5,6)14(4)17(15)16(11-13(2)3)21-12-19-7/h11,16H,4,8-10,12H2,1-3,5-7H3
InChIKeyLKQIRUJWPFDQQO-UHFFFAOYSA-N
XLogP4.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,3,3-trimethyl-2-[(1E,3E,7E)-5,9,9-triethoxy-3,7-dimethylnona-1,3,7-trienyl]cyclohexene
CID 134875407
3-(1,1-Dimethoxyethoxy)-1,5,5-trimethylcyclohexene
CID 135039529
3-Methoxymethoxy-1,5,5-trimethyl-cyclohexene
CID 542405
6-methoxy-4-methyl-2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3,6-dihydro-2H-pyran
CID 23338791
2-(3,7-Dimethyl-9,9-dioctoxynona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene
CID 53669785
6-methoxy-4-methyl-2-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-3,6-dihydro-2H-pyran
CID 53717837
2-(9,9-Didodecoxy-3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene
CID 54052049
5-(4,4-Dimethoxybut-1-enyl)-8,8-dimethyl-1,5,6,7-tetrahydroisochromene
CID 57003054
3-Ethyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-olate
CID 59271310
4-(Methoxymethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-1,2-diselone
CID 88054358
2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane
CID 88893371
5-Tert-butyl-2-(1-heptan-3-yloxyethoxy)cyclohexa-1,3-diene
CID 89277763

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene?
The IUPAC name of 1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene (CID 11109179) is 1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene.
What is the SMILES notation for 1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene?
The canonical SMILES for 1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene is C=C1C(C(C=C(C)C)OCOC)=C(OCC)CCC1(C)C.
What is the InChIKey of 1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene?
The InChIKey is LKQIRUJWPFDQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-8-20-15-9-10-18(5,6)14(4)17(15)16(11-13(2)3)21-12-19-7/h11,16H,4,8-10,12H2,1-3,5-7H3.
What are the key properties of 1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene?
1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene has a molecular weight of 294.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene is sourced from PubChem (CID 11109179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).