2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol

C13H22O3 — CID 10082422

IUPAC2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol
SMILESCC1=CC(COC2CCCCO2)CCC1O
InChIInChI=1S/C13H22O3/c1-10-8-11(5-6-12(10)14)9-16-13-4-2-3-7-15-13/h8,11-14H,2-7,9H2,1H3
InChIKeyNMDKFQFKQPDKJP-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.25
Rot. Bonds3

About 2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol

2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol (PubChem CID 10082422) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol
PubChem CID10082422
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol
SMILESCC1=CC(COC2CCCCO2)CCC1O
InChIInChI=1S/C13H22O3/c1-10-8-11(5-6-12(10)14)9-16-13-4-2-3-7-15-13/h8,11-14H,2-7,9H2,1H3
InChIKeyNMDKFQFKQPDKJP-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

NCGC00385387-01_C16H28O7_4-(Hydroxymethyl)-1-isopropyl-3-cyclohexen-1-yl beta-D-glucopyranoside
CID 56776282
(4R,6S)-p-Menth-1-ene-4,6-diol 4-glucoside
CID 73075307
(S)-p-Menth-1-ene-4,7-diol 4-glucoside
CID 76401267
p-menth-3-ene-1,2-diol 1-O-B-glucopyranoside, 5
CID 57340434
Northern aglycone
CID 44564522
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1S,2S)-2-hydroxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
CID 102257012
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1R,2S)-2-hydroxy-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
CID 163043443
(4s)-p-menth-1-ene-4,7-diol 4-O-beta-d-glucopyranoside
CID 10947552
(4-Ethoxy-4-methoxycyclohexen-1-yl)-(4-fluorocyclohexyl)methanol
CID 144745651
[(3R,4R)-3-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol
CID 71605960
p-menth-3-ene-1,2-diol 1-O-beta-glucopyranoside
CID 129847597
(E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol
CID 134832333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol?
The IUPAC name of 2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol (CID 10082422) is 2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol is CC1=CC(COC2CCCCO2)CCC1O.
What is the InChIKey of 2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol?
The InChIKey is NMDKFQFKQPDKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-10-8-11(5-6-12(10)14)9-16-13-4-2-3-7-15-13/h8,11-14H,2-7,9H2,1H3.
What are the key properties of 2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol?
2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol has a molecular weight of 226.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxan-2-yloxymethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 10082422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).