2-(6-methylcyclohex-3-en-1-yl)oxyethanol

C9H16O2 — CID 145357109

IUPAC2-(6-methylcyclohex-3-en-1-yl)oxyethanol
SMILESCC1CC=CCC1OCCO
InChIInChI=1S/C9H16O2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-3,8-10H,4-7H2,1H3
InChIKeyOLZHODOBKJFABE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds3

About 2-(6-methylcyclohex-3-en-1-yl)oxyethanol

2-(6-methylcyclohex-3-en-1-yl)oxyethanol (PubChem CID 145357109) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(6-methylcyclohex-3-en-1-yl)oxyethanol.

Molecular Properties

Compound Name2-(6-methylcyclohex-3-en-1-yl)oxyethanol
PubChem CID145357109
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(6-methylcyclohex-3-en-1-yl)oxyethanol
SMILESCC1CC=CCC1OCCO
InChIInChI=1S/C9H16O2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-3,8-10H,4-7H2,1H3
InChIKeyOLZHODOBKJFABE-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylcyclopropyl)oxyethanol
CID 130122746
2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
CID 155269084
2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol
CID 164590091
2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol
CID 91389809
2-[(3Z)-cyclooct-3-en-1-yl]oxyethanol
CID 169491130
2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 148584405
3-hydroxypropyl 6-methylcyclohex-3-ene-1-carboxylate
CID 23524861
2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol
CID 68583810
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
CID 57000258
2-[[(3aS,4S)-2,3,3a,4,5,6-hexahydro-1H-inden-4-yl]oxy]ethanol
CID 130763765
2-(3-methylcyclobut-2-en-1-yl)oxyethanol
CID 174957767

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylcyclohex-3-en-1-yl)oxyethanol?
The IUPAC name of 2-(6-methylcyclohex-3-en-1-yl)oxyethanol (CID 145357109) is 2-(6-methylcyclohex-3-en-1-yl)oxyethanol.
What is the SMILES notation for 2-(6-methylcyclohex-3-en-1-yl)oxyethanol?
The canonical SMILES for 2-(6-methylcyclohex-3-en-1-yl)oxyethanol is CC1CC=CCC1OCCO.
What is the InChIKey of 2-(6-methylcyclohex-3-en-1-yl)oxyethanol?
The InChIKey is OLZHODOBKJFABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 2-(6-methylcyclohex-3-en-1-yl)oxyethanol?
2-(6-methylcyclohex-3-en-1-yl)oxyethanol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylcyclohex-3-en-1-yl)oxyethanol is sourced from PubChem (CID 145357109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).