1,3-dimethoxy-5-non-8-ynylbenzene

C17H24O2 — CID 10978220

IUPAC1,3-dimethoxy-5-non-8-ynylbenzene
SMILESC#CCCCCCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C17H24O2/c1-4-5-6-7-8-9-10-11-15-12-16(18-2)14-17(13-15)19-3/h1,12-14H,5-11H2,2-3H3
InChIKeyCRQYBASDOYCCSY-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.22
Rot. Bonds9

About 1,3-dimethoxy-5-non-8-ynylbenzene

1,3-dimethoxy-5-non-8-ynylbenzene (PubChem CID 10978220) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,3-dimethoxy-5-non-8-ynylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-non-8-ynylbenzene
PubChem CID10978220
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1,3-dimethoxy-5-non-8-ynylbenzene
SMILESC#CCCCCCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C17H24O2/c1-4-5-6-7-8-9-10-11-15-12-16(18-2)14-17(13-15)19-3/h1,12-14H,5-11H2,2-3H3
InChIKeyCRQYBASDOYCCSY-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-butyl-3,5-dimethoxybenzene
CID 524875
1,3-dimethoxy-5-(5,5,5-trideuteriopentyl)benzene
CID 11769782
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
1-hex-5-ynyl-4-methoxy-2-methylbenzene
CID 86231947
1-decyl-4-hept-6-ynylbenzene
CID 91331883
3-methoxy-5-pent-4-ynoxybenzonitrile
CID 103567166
1,3-dimethyl-5-pent-4-ynylbenzene
CID 134966774
2-but-3-ynyl-5-methoxy-1,3-dimethylbenzene
CID 83940116
1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1-ethyl-4-hex-5-ynylbenzene
CID 90962288

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-non-8-ynylbenzene?
The IUPAC name of 1,3-dimethoxy-5-non-8-ynylbenzene (CID 10978220) is 1,3-dimethoxy-5-non-8-ynylbenzene.
What is the SMILES notation for 1,3-dimethoxy-5-non-8-ynylbenzene?
The canonical SMILES for 1,3-dimethoxy-5-non-8-ynylbenzene is C#CCCCCCCCc1cc(OC)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-non-8-ynylbenzene?
The InChIKey is CRQYBASDOYCCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-5-6-7-8-9-10-11-15-12-16(18-2)14-17(13-15)19-3/h1,12-14H,5-11H2,2-3H3.
What are the key properties of 1,3-dimethoxy-5-non-8-ynylbenzene?
1,3-dimethoxy-5-non-8-ynylbenzene has a molecular weight of 260.38 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-non-8-ynylbenzene is sourced from PubChem (CID 10978220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).