2-methoxycyclohexa-1,3-diene;propanoic acid

C10H16O3 — CID 174731082

IUPAC2-methoxycyclohexa-1,3-diene;propanoic acid
SMILESCCC(=O)O.COC1=CCCC=C1
InChIInChI=1S/C7H10O.C3H6O2/c1-8-7-5-3-2-4-6-7;1-2-3(4)5/h3,5-6H,2,4H2,1H3;2H2,1H3,(H,4,5)
InChIKeyIVAXMRVECUCOJE-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.35
Rot. Bonds2

About 2-methoxycyclohexa-1,3-diene;propanoic acid

2-methoxycyclohexa-1,3-diene;propanoic acid (PubChem CID 174731082) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methoxycyclohexa-1,3-diene;propanoic acid.

Molecular Properties

Compound Name2-methoxycyclohexa-1,3-diene;propanoic acid
PubChem CID174731082
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-methoxycyclohexa-1,3-diene;propanoic acid
SMILESCCC(=O)O.COC1=CCCC=C1
InChIInChI=1S/C7H10O.C3H6O2/c1-8-7-5-3-2-4-6-7;1-2-3(4)5/h3,5-6H,2,4H2,1H3;2H2,1H3,(H,4,5)
InChIKeyIVAXMRVECUCOJE-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-cyclohexa-1,5-dien-1-yloxy-2,2-dimethylpentanoate
CID 21280339
2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxycyclohexa-1,3-diene
CID 89229948
2-heptoxycyclohexa-1,3-diene
CID 21485321
cyclohexa-1,5-dien-1-yl 2-(diaminomethylideneamino)acetate
CID 174379121
2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene
CID 163469111
methyl N-cyclohexa-1,5-dien-1-ylcarbamate
CID 145077973
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cyclohexa-1,5-dien-1-yloxybenzene
CID 21475481
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
methanol;2-methylcyclohexa-1,3-diene;propane
CID 142947667
2-cyclohexa-1,5-dien-1-ylbutan-2-yl acetate
CID 144561266
methyl (2S)-2-[[cyclohexa-1,5-dien-1-yloxy(phenoxy)phosphoryl]amino]-4-methylpentanoate
CID 122551617

Frequently Asked Questions

What is the IUPAC name of 2-methoxycyclohexa-1,3-diene;propanoic acid?
The IUPAC name of 2-methoxycyclohexa-1,3-diene;propanoic acid (CID 174731082) is 2-methoxycyclohexa-1,3-diene;propanoic acid.
What is the SMILES notation for 2-methoxycyclohexa-1,3-diene;propanoic acid?
The canonical SMILES for 2-methoxycyclohexa-1,3-diene;propanoic acid is CCC(=O)O.COC1=CCCC=C1.
What is the InChIKey of 2-methoxycyclohexa-1,3-diene;propanoic acid?
The InChIKey is IVAXMRVECUCOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C3H6O2/c1-8-7-5-3-2-4-6-7;1-2-3(4)5/h3,5-6H,2,4H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 2-methoxycyclohexa-1,3-diene;propanoic acid?
2-methoxycyclohexa-1,3-diene;propanoic acid has a molecular weight of 184.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclohexa-1,3-diene;propanoic acid is sourced from PubChem (CID 174731082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).