3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane

C19H32O — CID 142351499

IUPAC3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane
SMILESC1=CC(OC2=CC3CC3C=C2)=CCC1.CC.CC.CC
InChIInChI=1S/C13H14O.3C2H6/c1-2-4-12(5-3-1)14-13-7-6-10-8-11(10)9-13;3*1-2/h2,4-7,9-11H,1,3,8H2;3*1-2H3
InChIKeySAVGUDLJQNDZHG-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.41
Rot. Bonds2

About 3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane

3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane (PubChem CID 142351499) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane
PubChem CID142351499
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane
SMILESC1=CC(OC2=CC3CC3C=C2)=CCC1.CC.CC.CC
InChIInChI=1S/C13H14O.3C2H6/c1-2-4-12(5-3-1)14-13-7-6-10-8-11(10)9-13;3*1-2/h2,4-7,9-11H,1,3,8H2;3*1-2H3
InChIKeySAVGUDLJQNDZHG-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene
CID 143624707
cyclohexa-1,5-dien-1-yloxycycloheptane;ethane
CID 178142033
3-bicyclo[4.1.0]hepta-2,4-dienyl 2-methylpropanoate
CID 170712319
cyclohexa-1,5-dien-1-yloxybenzene
CID 21475481
3-methylbicyclo[4.1.0]hepta-2,4-diene
CID 123395946
4-cyclohexa-1,5-dien-1-yloxyphenol
CID 129018393
cyclohexa-1,5-dien-1-yl formate
CID 21076533
N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 143038917
3-(bromomethyl)bicyclo[4.1.0]hepta-2,4-diene
CID 163529142
1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene
CID 147337600
2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene
CID 163469111
(4-cyclohexa-1,5-dien-1-yloxycyclohexa-1,3-dien-1-yl)oxy thiohypofluorite
CID 178117029

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane (CID 142351499) is 3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane is C1=CC(OC2=CC3CC3C=C2)=CCC1.CC.CC.CC.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane?
The InChIKey is SAVGUDLJQNDZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O.3C2H6/c1-2-4-12(5-3-1)14-13-7-6-10-8-11(10)9-13;3*1-2/h2,4-7,9-11H,1,3,8H2;3*1-2H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane?
3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane has a molecular weight of 276.46 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane is sourced from PubChem (CID 142351499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).