1-chloro-5,6-diethylcyclohexene

C10H17Cl — CID 148572658

IUPAC1-chloro-5,6-diethylcyclohexene
SMILESCCC1CCC=C(Cl)C1CC
InChIInChI=1S/C10H17Cl/c1-3-8-6-5-7-10(11)9(8)4-2/h7-9H,3-6H2,1-2H3
InChIKeyMXEGUMICKGJOGD-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.96
Rot. Bonds2

About 1-chloro-5,6-diethylcyclohexene

1-chloro-5,6-diethylcyclohexene (PubChem CID 148572658) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 1-chloro-5,6-diethylcyclohexene.

Molecular Properties

Compound Name1-chloro-5,6-diethylcyclohexene
PubChem CID148572658
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name1-chloro-5,6-diethylcyclohexene
SMILESCCC1CCC=C(Cl)C1CC
InChIInChI=1S/C10H17Cl/c1-3-8-6-5-7-10(11)9(8)4-2/h7-9H,3-6H2,1-2H3
InChIKeyMXEGUMICKGJOGD-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-chloro-6-methylcyclohex-2-en-1-amine
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(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol
CID 58637363
(1S,2S)-3-chlorocyclohex-3-ene-1,2-diol
CID 67478154
3-chlorocyclohex-3-ene-1,2-diol
CID 67478203
(1R)-2-chlorocyclopent-2-en-1-amine;hydrochloride
CID 118540639
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
CID 160611346
CID 160611346
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole
CID 174351058
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
1-ethyl-2-(trifluoromethyl)cyclobutane
CID 149336016

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5,6-diethylcyclohexene?
The IUPAC name of 1-chloro-5,6-diethylcyclohexene (CID 148572658) is 1-chloro-5,6-diethylcyclohexene.
What is the SMILES notation for 1-chloro-5,6-diethylcyclohexene?
The canonical SMILES for 1-chloro-5,6-diethylcyclohexene is CCC1CCC=C(Cl)C1CC.
What is the InChIKey of 1-chloro-5,6-diethylcyclohexene?
The InChIKey is MXEGUMICKGJOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c1-3-8-6-5-7-10(11)9(8)4-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-chloro-5,6-diethylcyclohexene?
1-chloro-5,6-diethylcyclohexene has a molecular weight of 172.70 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5,6-diethylcyclohexene is sourced from PubChem (CID 148572658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).