1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene

C24H40O2 — CID 59896216

IUPAC1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene
SMILESCC=Cc1cc(OCCCCCCC)c(C)cc1OCCCCCCC
InChIInChI=1S/C24H40O2/c1-5-8-10-12-14-17-25-23-20-22(16-7-3)24(19-21(23)4)26-18-15-13-11-9-6-2/h7,16,19-20H,5-6,8-15,17-18H2,1-4H3
InChIKeySVVUGBRKNHGCGA-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.73
Rot. Bonds15

About 1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene

1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene (PubChem CID 59896216) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene.

Molecular Properties

Compound Name1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene
PubChem CID59896216
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene
SMILESCC=Cc1cc(OCCCCCCC)c(C)cc1OCCCCCCC
InChIInChI=1S/C24H40O2/c1-5-8-10-12-14-17-25-23-20-22(16-7-3)24(19-21(23)4)26-18-15-13-11-9-6-2/h7,16,19-20H,5-6,8-15,17-18H2,1-4H3
InChIKeySVVUGBRKNHGCGA-UHFFFAOYSA-N
XLogP7.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
1,4-dimethyl-2,5-dioctoxybenzene;1-methyl-4-[(E)-prop-1-enyl]benzene
CID 90999937
1-decoxy-2-[(E)-2-(5-methoxy-2,4-dimethylphenyl)ethenyl]-4,5-dimethylbenzene
CID 58038590
1-methoxy-2-methyl-4-(3-phenylpropoxy)-5-[2-(4-prop-1-enylphenyl)ethenyl]benzene;1-methyl-2,5-dioctoxy-4-[2-(4-prop-1-enylphenyl)ethenyl]benzene
CID 90835479
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
CID 101201557
1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
4-[(E)-2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]-2,5-dipropoxybenzaldehyde
CID 101039108
1-[2-[4-[2-[4-[2-[2,5-dihexadecoxy-4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]-2,3,4,5,6-pentafluorobenzene
CID 177389517
1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine
CID 102439863
1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene
CID 177462913

Frequently Asked Questions

What is the IUPAC name of 1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene?
The IUPAC name of 1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene (CID 59896216) is 1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene.
What is the SMILES notation for 1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene?
The canonical SMILES for 1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene is CC=Cc1cc(OCCCCCCC)c(C)cc1OCCCCCCC.
What is the InChIKey of 1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene?
The InChIKey is SVVUGBRKNHGCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-5-8-10-12-14-17-25-23-20-22(16-7-3)24(19-21(23)4)26-18-15-13-11-9-6-2/h7,16,19-20H,5-6,8-15,17-18H2,1-4H3.
What are the key properties of 1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene?
1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene has a molecular weight of 360.58 g/mol, XLogP of 7.73, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene is sourced from PubChem (CID 59896216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).