2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene

C14H24O3 — CID 174365510

IUPAC2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene
SMILESCCCCCCOC1=CCC(OC)(OC)C=C1
InChIInChI=1S/C14H24O3/c1-4-5-6-7-12-17-13-8-10-14(15-2,16-3)11-9-13/h8-10H,4-7,11-12H2,1-3H3
InChIKeySWTBFNXQSLFJPM-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.42
Rot. Bonds8

About 2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene

2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene (PubChem CID 174365510) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene
PubChem CID174365510
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene
SMILESCCCCCCOC1=CCC(OC)(OC)C=C1
InChIInChI=1S/C14H24O3/c1-4-5-6-7-12-17-13-8-10-14(15-2,16-3)11-9-13/h8-10H,4-7,11-12H2,1-3H3
InChIKeySWTBFNXQSLFJPM-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-heptoxycyclohexa-1,3-diene
CID 21485321
5-(2-decoxyethenyl)-2-ethoxy-5-methylcyclohexa-1,3-diene
CID 139905552
2-bromo-5-ethoxy-5-methoxycyclohexa-1,3-diene
CID 168727314
ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium
CID 142260235
2-buta-2,3-dien-2-yl-5-decoxycyclohepta-1,3,5-triene
CID 144958919
5-nonyl-2-(4-nonyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxy-5-prop-2-enylcyclohexa-1,3-diene
CID 141102231
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
2,3-difluoro-1-(4-heptoxy-4-octoxycyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)benzene
CID 67861739
dodecylmercury;hydrate
CID 78070234
1-methyl-2-octoxycyclohexene
CID 70525122

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene?
The IUPAC name of 2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene (CID 174365510) is 2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene.
What is the SMILES notation for 2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene?
The canonical SMILES for 2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene is CCCCCCOC1=CCC(OC)(OC)C=C1.
What is the InChIKey of 2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene?
The InChIKey is SWTBFNXQSLFJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-5-6-7-12-17-13-8-10-14(15-2,16-3)11-9-13/h8-10H,4-7,11-12H2,1-3H3.
What are the key properties of 2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene?
2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene has a molecular weight of 240.34 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene is sourced from PubChem (CID 174365510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).