di(cyclohexa-1,5-dien-1-yl)methanone;ethane

C19H32O — CID 144664025

IUPACdi(cyclohexa-1,5-dien-1-yl)methanone;ethane
SMILESCC.CC.CC.O=C(C1=CCCC=C1)C1=CCCC=C1
InChIInChI=1S/C13H14O.3C2H6/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3*1-2/h3,5,7-10H,1-2,4,6H2;3*1-2H3
InChIKeyGBUNKSXAEGFNQM-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.19
Rot. Bonds2

About di(cyclohexa-1,5-dien-1-yl)methanone;ethane

di(cyclohexa-1,5-dien-1-yl)methanone;ethane (PubChem CID 144664025) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is di(cyclohexa-1,5-dien-1-yl)methanone;ethane.

Molecular Properties

Compound Namedi(cyclohexa-1,5-dien-1-yl)methanone;ethane
PubChem CID144664025
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Namedi(cyclohexa-1,5-dien-1-yl)methanone;ethane
SMILESCC.CC.CC.O=C(C1=CCCC=C1)C1=CCCC=C1
InChIInChI=1S/C13H14O.3C2H6/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3*1-2/h3,5,7-10H,1-2,4,6H2;3*1-2H3
InChIKeyGBUNKSXAEGFNQM-UHFFFAOYSA-N
XLogP6.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
carbanide;cyclohexa-1,5-dien-1-yl(phenyl)methanone;yttrium
CID 176944216
4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide
CID 163929031
(3-benzoyl-5-methylphenyl)-cyclohexa-1,5-dien-1-ylmethanone
CID 144619671
anthracen-2-yl(cyclohexa-1,5-dien-1-yl)methanone
CID 126606855
[4-(cyclohexa-1,5-diene-1-carbonyl)phenyl] 2-methylprop-2-enoate
CID 69301341
cyclohexa-1,5-dien-1-yl-(2-hydroxy-4-methoxyphenyl)methanone
CID 168888121
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952
ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide
CID 142032761
cyclohexa-1,5-dien-1-ol;ethane
CID 143526477
N'-methylcyclohexa-1,5-diene-1-carboximidamide
CID 144914796
S-cyclohexa-1,5-dien-1-yl ethanethioate
CID 118912702

Frequently Asked Questions

What is the IUPAC name of di(cyclohexa-1,5-dien-1-yl)methanone;ethane?
The IUPAC name of di(cyclohexa-1,5-dien-1-yl)methanone;ethane (CID 144664025) is di(cyclohexa-1,5-dien-1-yl)methanone;ethane.
What is the SMILES notation for di(cyclohexa-1,5-dien-1-yl)methanone;ethane?
The canonical SMILES for di(cyclohexa-1,5-dien-1-yl)methanone;ethane is CC.CC.CC.O=C(C1=CCCC=C1)C1=CCCC=C1.
What is the InChIKey of di(cyclohexa-1,5-dien-1-yl)methanone;ethane?
The InChIKey is GBUNKSXAEGFNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O.3C2H6/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;3*1-2/h3,5,7-10H,1-2,4,6H2;3*1-2H3.
What are the key properties of di(cyclohexa-1,5-dien-1-yl)methanone;ethane?
di(cyclohexa-1,5-dien-1-yl)methanone;ethane has a molecular weight of 276.46 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclohexa-1,5-dien-1-yl)methanone;ethane is sourced from PubChem (CID 144664025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).