1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene

C19H26O2 — CID 21055524

IUPAC1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene
SMILESC=C(C)C1CCC(C)=CC1c1c(OC)cc(C)cc1OC
InChIInChI=1S/C19H26O2/c1-12(2)15-8-7-13(3)9-16(15)19-17(20-5)10-14(4)11-18(19)21-6/h9-11,15-16H,1,7-8H2,2-6H3
InChIKeyICHJMVMWPKLUKT-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.03
Rot. Bonds4

About 1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene

1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene (PubChem CID 21055524) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene
PubChem CID21055524
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene
SMILESC=C(C)C1CCC(C)=CC1c1c(OC)cc(C)cc1OC
InChIInChI=1S/C19H26O2/c1-12(2)15-8-7-13(3)9-16(15)19-17(20-5)10-14(4)11-18(19)21-6/h9-11,15-16H,1,7-8H2,2-6H3
InChIKeyICHJMVMWPKLUKT-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 644019
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CID 16078
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CID 11601669
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CID 30219
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CID 638026
CID 638026
CID 107778
CID 107778
CID 93147
CID 93147
CID 14104
CID 14104
CID 11553430
CID 11553430
CID 80790
CID 80790
CID 9821569
CID 9821569
CID 5388063
CID 5388063

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene?
The IUPAC name of 1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene (CID 21055524) is 1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene.
What is the SMILES notation for 1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene?
The canonical SMILES for 1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene is C=C(C)C1CCC(C)=CC1c1c(OC)cc(C)cc1OC.
What is the InChIKey of 1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene?
The InChIKey is ICHJMVMWPKLUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-12(2)15-8-7-13(3)9-16(15)19-17(20-5)10-14(4)11-18(19)21-6/h9-11,15-16H,1,7-8H2,2-6H3.
What are the key properties of 1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene?
1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene has a molecular weight of 286.42 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 21055524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).