7-hexoxybicyclo[4.2.0]octa-1,3,5-triene

C14H20O — CID 122208722

IUPAC7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
SMILESCCCCCCOC1Cc2ccccc21
InChIInChI=1S/C14H20O/c1-2-3-4-7-10-15-14-11-12-8-5-6-9-13(12)14/h5-6,8-9,14H,2-4,7,10-11H2,1H3
InChIKeyMKZCENSNEVGVBU-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.88
Rot. Bonds6

About 7-hexoxybicyclo[4.2.0]octa-1,3,5-triene

7-hexoxybicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 122208722) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 7-hexoxybicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
PubChem CID122208722
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
SMILESCCCCCCOC1Cc2ccccc21
InChIInChI=1S/C14H20O/c1-2-3-4-7-10-15-14-11-12-8-5-6-9-13(12)14/h5-6,8-9,14H,2-4,7,10-11H2,1H3
InChIKeyMKZCENSNEVGVBU-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-[4-[(4-ethenylphenyl)methoxy]butoxy]bicyclo[4.2.0]octa-1,3,5-triene
CID 126641737
9-pentoxy-9H-fluorene
CID 175299691
6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43127864
(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine
CID 146597119
(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine
CID 151204534
1,2-dioctoxy-2,3-dihydroindole
CID 174461848
[4-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienyloxy)butyl]phenyl] prop-2-enoate
CID 126641752
(2R,4S)-4-butoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 25242139
1-chloro-2-decyl-2,3-dihydro-1H-indene
CID 63460402
2-propoxy-2,3-dihydro-1H-indene
CID 12009073
2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419211
decyl 2,3-dihydro-1H-indene-2-carboxylate
CID 122577594

Frequently Asked Questions

What is the IUPAC name of 7-hexoxybicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-hexoxybicyclo[4.2.0]octa-1,3,5-triene (CID 122208722) is 7-hexoxybicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-hexoxybicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-hexoxybicyclo[4.2.0]octa-1,3,5-triene is CCCCCCOC1Cc2ccccc21.
What is the InChIKey of 7-hexoxybicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is MKZCENSNEVGVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-4-7-10-15-14-11-12-8-5-6-9-13(12)14/h5-6,8-9,14H,2-4,7,10-11H2,1H3.
What are the key properties of 7-hexoxybicyclo[4.2.0]octa-1,3,5-triene?
7-hexoxybicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 204.31 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexoxybicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 122208722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).