(1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol

C11H20O — CID 160751719

IUPAC(1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol
SMILESCC[C@@]1(C)CC/C=C\[C@@H](O)CC1
InChIInChI=1S/C11H20O/c1-3-11(2)8-5-4-6-10(12)7-9-11/h4,6,10,12H,3,5,7-9H2,1-2H3/b6-4-/t10-,11+/m1/s1
InChIKeyWKJJPTXZRHLFKE-FPNIURKZSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds1

About (1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol

(1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol (PubChem CID 160751719) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol.

Molecular Properties

Compound Name(1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol
PubChem CID160751719
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol
SMILESCC[C@@]1(C)CC/C=C\[C@@H](O)CC1
InChIInChI=1S/C11H20O/c1-3-11(2)8-5-4-6-10(12)7-9-11/h4,6,10,12H,3,5,7-9H2,1-2H3/b6-4-/t10-,11+/m1/s1
InChIKeyWKJJPTXZRHLFKE-FPNIURKZSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol
CID 135353498
methyl (4E,6S)-1-ethyl-6-hydroxycyclooct-4-ene-1-carboxylate
CID 159364636
(1S,4Z,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1S,4E,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid);(1R,4Z,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1R,4E,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid)
CID 167557842
4-ethyl-4-methylcyclohexane-1-thiol
CID 148627567
methyl (1S,4E,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylate
CID 159107949
(1S)-cyclopent-2-en-1-ol
CID 11789128
(1S,2R,5R)-5-ethyl-2,5-dimethylcyclohexan-1-ol
CID 130762477
1,1-dimethylcyclopropane;1-ethyl-1-methylcyclopropane
CID 143562468
[(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 142450638
6,6-dimethylcyclohex-2-en-1-ol
CID 550886
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene
CID 143371902

Frequently Asked Questions

What is the IUPAC name of (1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol?
The IUPAC name of (1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol (CID 160751719) is (1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol.
What is the SMILES notation for (1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol?
The canonical SMILES for (1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol is CC[C@@]1(C)CC/C=C\[C@@H](O)CC1.
What is the InChIKey of (1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol?
The InChIKey is WKJJPTXZRHLFKE-FPNIURKZSA-N. The full InChI is InChI=1S/C11H20O/c1-3-11(2)8-5-4-6-10(12)7-9-11/h4,6,10,12H,3,5,7-9H2,1-2H3/b6-4-/t10-,11+/m1/s1.
What are the key properties of (1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol?
(1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol is sourced from PubChem (CID 160751719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).