2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene

C17H26O — CID 175505048

IUPAC2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene
SMILESC=COC.CCCCC(CC)Cc1cc2ccc1-2
InChIInChI=1S/C14H20.C3H6O/c1-3-5-6-11(4-2)9-13-10-12-7-8-14(12)13;1-3-4-2/h7-8,10-11H,3-6,9H2,1-2H3;3H,1H2,2H3
InChIKeyBWHPVXJWIXBNMQ-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.20
Rot. Bonds7

About 2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene

2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene (PubChem CID 175505048) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene.

Molecular Properties

Compound Name2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene
PubChem CID175505048
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene
SMILESC=COC.CCCCC(CC)Cc1cc2ccc1-2
InChIInChI=1S/C14H20.C3H6O/c1-3-5-6-11(4-2)9-13-10-12-7-8-14(12)13;1-3-4-2/h7-8,10-11H,3-6,9H2,1-2H3;3H,1H2,2H3
InChIKeyBWHPVXJWIXBNMQ-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 68964957
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
2-(2-ethylhexyl)benzene-1,4-diamine
CID 151075320
1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
CID 173144517
5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol
CID 118152964
1,2,3,4,5,6-hexakis[4-(2-ethylhexyl)phenyl]benzene
CID 131637875
4,7-bis[7-(2-ethylhexyl)-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazole
CID 167359455
1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 123773607
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
1,3,6,8-tetrakis[4-[4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pyrene
CID 102054332
2-(2-ethylhexyl)tellurophene
CID 175050846

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene?
The IUPAC name of 2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene (CID 175505048) is 2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene.
What is the SMILES notation for 2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene?
The canonical SMILES for 2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene is C=COC.CCCCC(CC)Cc1cc2ccc1-2.
What is the InChIKey of 2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene?
The InChIKey is BWHPVXJWIXBNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C3H6O/c1-3-5-6-11(4-2)9-13-10-12-7-8-14(12)13;1-3-4-2/h7-8,10-11H,3-6,9H2,1-2H3;3H,1H2,2H3.
What are the key properties of 2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene?
2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene has a molecular weight of 246.39 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene is sourced from PubChem (CID 175505048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).