(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene

C12H22 — CID 178125074

IUPAC(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene
SMILESCC[C@H]1C[C@H](C)CCC/C=C\1C
InChIInChI=1S/C12H22/c1-4-12-9-10(2)7-5-6-8-11(12)3/h8,10,12H,4-7,9H2,1-3H3/b11-8-/t10-,12+/m1/s1
InChIKeyAFDFACIZMSCDPR-RWPCGZBTSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds1

About (1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene

(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene (PubChem CID 178125074) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene.

Molecular Properties

Compound Name(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene
PubChem CID178125074
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene
SMILESCC[C@H]1C[C@H](C)CCC/C=C\1C
InChIInChI=1S/C12H22/c1-4-12-9-10(2)7-5-6-8-11(12)3/h8,10,12H,4-7,9H2,1-3H3/b11-8-/t10-,12+/m1/s1
InChIKeyAFDFACIZMSCDPR-RWPCGZBTSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,7-dimethylcycloheptene
CID 13493194
lithium 6-ethylcyclohexen-1-olate
CID 134976010
1,6,7-trimethylcycloheptene
CID 91039124
ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate
CID 10726121
1-(6-ethylcyclohexen-1-yl)pyrrolidine
CID 102116981
2,3-dimethylcyclohept-3-en-1-amine
CID 146285592
6-ethyl-1-[(Z)-prop-1-enyl]cyclohexene
CID 173478560
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
ethyl 2-methylcyclohex-2-ene-1-carboxylate
CID 10397194
1-methyl-5-(2-methylbutyl)cyclopentene
CID 163754546
2-methylcyclohex-2-ene-1-carbaldehyde
CID 15178761
1-chloro-6-methylcyclohexene
CID 565192

Frequently Asked Questions

What is the IUPAC name of (1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene?
The IUPAC name of (1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene (CID 178125074) is (1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene.
What is the SMILES notation for (1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene?
The canonical SMILES for (1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene is CC[C@H]1C[C@H](C)CCC/C=C\1C.
What is the InChIKey of (1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene?
The InChIKey is AFDFACIZMSCDPR-RWPCGZBTSA-N. The full InChI is InChI=1S/C12H22/c1-4-12-9-10(2)7-5-6-8-11(12)3/h8,10,12H,4-7,9H2,1-3H3/b11-8-/t10-,12+/m1/s1.
What are the key properties of (1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene?
(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene has a molecular weight of 166.31 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene is sourced from PubChem (CID 178125074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).