(5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol

C8H14O2 — CID 154314809

IUPAC(5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol
SMILESCC1CC(CO)CC2OC12
InChIInChI=1S/C8H14O2/c1-5-2-6(4-9)3-7-8(5)10-7/h5-9H,2-4H2,1H3
InChIKeyVBWHVKCCXCQONR-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.79
Rot. Bonds1

About (5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol

(5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol (PubChem CID 154314809) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol.

Molecular Properties

Compound Name(5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol
PubChem CID154314809
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol
SMILESCC1CC(CO)CC2OC12
InChIInChI=1S/C8H14O2/c1-5-2-6(4-9)3-7-8(5)10-7/h5-9H,2-4H2,1H3
InChIKeyVBWHVKCCXCQONR-UHFFFAOYSA-N
XLogP0.79
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(1R,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]methanol
CID 124527310
[(2R)-2,6-dimethyloxan-4-yl]methanol
CID 69262648
trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol
CID 122468641
[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 88623033
[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 130148196
5-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 19871360
[(3R,4S,5S,6S)-4,6-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]methanol
CID 131041848
[(1R,3S)-3,4-dimethylcyclohexyl]methanol
CID 118389064
(3,4-dimethylcyclohexyl)methanol
CID 22708626
[(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol
CID 121245668
cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
CID 21219626
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol
CID 11137649

Frequently Asked Questions

What is the IUPAC name of (5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol?
The IUPAC name of (5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol (CID 154314809) is (5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol.
What is the SMILES notation for (5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol?
The canonical SMILES for (5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol is CC1CC(CO)CC2OC12.
What is the InChIKey of (5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol?
The InChIKey is VBWHVKCCXCQONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-2-6(4-9)3-7-8(5)10-7/h5-9H,2-4H2,1H3.
What are the key properties of (5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol?
(5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol has a molecular weight of 142.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol is sourced from PubChem (CID 154314809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).