1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene

C20H30O — CID 142555412

IUPAC1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene
SMILESC=C(C)c1cccc(C(=C)C)c1.C=C(CC(C)(C)C)OC
InChIInChI=1S/C12H14.C8H16O/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-7(9-5)6-8(2,3)4/h5-8H,1,3H2,2,4H3;1,6H2,2-5H3
InChIKeyLYSJULKRTPRMJU-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.34
Rot. Bonds4

About 1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene

1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene (PubChem CID 142555412) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene
PubChem CID142555412
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene
SMILESC=C(C)c1cccc(C(=C)C)c1.C=C(CC(C)(C)C)OC
InChIInChI=1S/C12H14.C8H16O/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-7(9-5)6-8(2,3)4/h5-8H,1,3H2,2,4H3;1,6H2,2-5H3
InChIKeyLYSJULKRTPRMJU-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
CID 175999840
1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
CID 58759055
lithium;1,3-bis(prop-1-en-2-yl)benzene;butane
CID 158400502
1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
CID 134569595
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
CID 151027648
CID 151027648
trimethoxy-(3-prop-1-en-2-ylphenyl)silane
CID 21219270
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene
CID 19814596
CID 23599187
CID 23599187
ethane;methoxymethane;prop-1-en-2-ylbenzene
CID 160714954
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene?
The IUPAC name of 1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene (CID 142555412) is 1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene.
What is the SMILES notation for 1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene?
The canonical SMILES for 1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene is C=C(C)c1cccc(C(=C)C)c1.C=C(CC(C)(C)C)OC.
What is the InChIKey of 1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene?
The InChIKey is LYSJULKRTPRMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C8H16O/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-7(9-5)6-8(2,3)4/h5-8H,1,3H2,2,4H3;1,6H2,2-5H3.
What are the key properties of 1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene?
1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene has a molecular weight of 286.46 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene is sourced from PubChem (CID 142555412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).