[3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol

C13H24O2 — CID 167217530

IUPAC[3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol
SMILESCC1=CC(CO)(CCOC(C)C)CCC1
InChIInChI=1S/C13H24O2/c1-11(2)15-8-7-13(10-14)6-4-5-12(3)9-13/h9,11,14H,4-8,10H2,1-3H3
InChIKeyKGUQLNDAVSUFIC-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.91
Rot. Bonds5

About [3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol

[3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol (PubChem CID 167217530) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol
PubChem CID167217530
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol
SMILESCC1=CC(CO)(CCOC(C)C)CCC1
InChIInChI=1S/C13H24O2/c1-11(2)15-8-7-13(10-14)6-4-5-12(3)9-13/h9,11,14H,4-8,10H2,1-3H3
InChIKeyKGUQLNDAVSUFIC-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol?
The IUPAC name of [3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol (CID 167217530) is [3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol?
The canonical SMILES for [3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol is CC1=CC(CO)(CCOC(C)C)CCC1.
What is the InChIKey of [3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol?
The InChIKey is KGUQLNDAVSUFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(2)15-8-7-13(10-14)6-4-5-12(3)9-13/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of [3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol?
[3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol has a molecular weight of 212.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-propan-2-yloxyethyl)cyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 167217530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).