[1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene

C18H24O — CID 139694160

IUPAC[1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene
SMILESCCCCOCCC1(c2ccccc2)C=CC=CC1
InChIInChI=1S/C18H24O/c1-2-3-15-19-16-14-18(12-8-5-9-13-18)17-10-6-4-7-11-17/h4-12H,2-3,13-16H2,1H3
InChIKeyOISSDGKYLRQVET-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.65
Rot. Bonds7

About [1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene

[1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene (PubChem CID 139694160) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is [1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene.

Molecular Properties

Compound Name[1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene
PubChem CID139694160
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name[1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene
SMILESCCCCOCCC1(c2ccccc2)C=CC=CC1
InChIInChI=1S/C18H24O/c1-2-3-15-19-16-14-18(12-8-5-9-13-18)17-10-6-4-7-11-17/h4-12H,2-3,13-16H2,1H3
InChIKeyOISSDGKYLRQVET-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.65
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

2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine
CID 141124285
(1-pentoxycyclohexa-2,4-dien-1-yl)benzene
CID 154489063
[(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234694
3-(2-butoxyethoxy)-3-phenyldioxirane
CID 174256197
[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234682
(1S)-1-phenylcyclohexa-2,4-dien-1-amine
CID 97049769
10-butoxydecylbenzene
CID 151496754
3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
CID 79461082
[1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane
CID 67855061
butoxymethylbenzene;ethane
CID 145341806
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044

Frequently Asked Questions

What is the IUPAC name of [1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene?
The IUPAC name of [1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene (CID 139694160) is [1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene.
What is the SMILES notation for [1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene?
The canonical SMILES for [1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene is CCCCOCCC1(c2ccccc2)C=CC=CC1.
What is the InChIKey of [1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene?
The InChIKey is OISSDGKYLRQVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-2-3-15-19-16-14-18(12-8-5-9-13-18)17-10-6-4-7-11-17/h4-12H,2-3,13-16H2,1H3.
What are the key properties of [1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene?
[1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene has a molecular weight of 256.39 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene is sourced from PubChem (CID 139694160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).