(6S)-1-ethoxy-6-methylcyclohexene

C9H16O — CID 18595444

IUPAC(6S)-1-ethoxy-6-methylcyclohexene
SMILESCCOC1=CCCC[C@@H]1C
InChIInChI=1S/C9H16O/c1-3-10-9-7-5-4-6-8(9)2/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyYBVKLUCRIYIEHQ-QMMMGPOBSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds2

About (6S)-1-ethoxy-6-methylcyclohexene

(6S)-1-ethoxy-6-methylcyclohexene (PubChem CID 18595444) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (6S)-1-ethoxy-6-methylcyclohexene.

Molecular Properties

Compound Name(6S)-1-ethoxy-6-methylcyclohexene
PubChem CID18595444
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(6S)-1-ethoxy-6-methylcyclohexene
SMILESCCOC1=CCCC[C@@H]1C
InChIInChI=1S/C9H16O/c1-3-10-9-7-5-4-6-8(9)2/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyYBVKLUCRIYIEHQ-QMMMGPOBSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-ethoxy-6-methylcyclohexene?
The IUPAC name of (6S)-1-ethoxy-6-methylcyclohexene (CID 18595444) is (6S)-1-ethoxy-6-methylcyclohexene.
What is the SMILES notation for (6S)-1-ethoxy-6-methylcyclohexene?
The canonical SMILES for (6S)-1-ethoxy-6-methylcyclohexene is CCOC1=CCCC[C@@H]1C.
What is the InChIKey of (6S)-1-ethoxy-6-methylcyclohexene?
The InChIKey is YBVKLUCRIYIEHQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O/c1-3-10-9-7-5-4-6-8(9)2/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (6S)-1-ethoxy-6-methylcyclohexene?
(6S)-1-ethoxy-6-methylcyclohexene has a molecular weight of 140.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-ethoxy-6-methylcyclohexene is sourced from PubChem (CID 18595444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).