2-methylidene-6-propan-2-yloxan-4-ol

C9H16O2 — CID 59873113

IUPAC2-methylidene-6-propan-2-yloxan-4-ol
SMILESC=C1CC(O)CC(C(C)C)O1
InChIInChI=1S/C9H16O2/c1-6(2)9-5-8(10)4-7(3)11-9/h6,8-10H,3-5H2,1-2H3
InChIKeyYHMCLGSGZWVMIG-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds1

About 2-methylidene-6-propan-2-yloxan-4-ol

2-methylidene-6-propan-2-yloxan-4-ol (PubChem CID 59873113) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methylidene-6-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name2-methylidene-6-propan-2-yloxan-4-ol
PubChem CID59873113
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methylidene-6-propan-2-yloxan-4-ol
SMILESC=C1CC(O)CC(C(C)C)O1
InChIInChI=1S/C9H16O2/c1-6(2)9-5-8(10)4-7(3)11-9/h6,8-10H,3-5H2,1-2H3
InChIKeyYHMCLGSGZWVMIG-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol
CID 16680391
(2R,3S,4S,5S,6R)-2-[(2R)-but-3-en-2-yl]-6-(iodomethyl)-3,5-dimethyloxan-4-ol
CID 54756608
(3S,4R)-3-prop-1-en-2-yloxan-4-ol
CID 122367347
(3R,4R,5R,6S)-2-[(2S)-but-3-en-2-yl]-6-(iodomethyl)-3,5-dimethyloxan-4-ol
CID 134953297
(2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol
CID 101412807
(2R,4R,5S)-5-ethenyl-2-(2-methylpropyl)oxan-4-ol
CID 101412809
(2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol
CID 101412810
(2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol
CID 54473259
(2S,3R)-2,6-dimethylhept-6-ene-1,3-diol
CID 57792619
(4R)-2-methylidene-6-propyloxan-4-ol
CID 59365107
2-Methylidene-6-propyloxan-4-ol
CID 59365110
(2R,4R)-2-(3,3-dimethylbutyl)-6-methylideneoxan-4-ol
CID 60010740

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-propan-2-yloxan-4-ol?
The IUPAC name of 2-methylidene-6-propan-2-yloxan-4-ol (CID 59873113) is 2-methylidene-6-propan-2-yloxan-4-ol.
What is the SMILES notation for 2-methylidene-6-propan-2-yloxan-4-ol?
The canonical SMILES for 2-methylidene-6-propan-2-yloxan-4-ol is C=C1CC(O)CC(C(C)C)O1.
What is the InChIKey of 2-methylidene-6-propan-2-yloxan-4-ol?
The InChIKey is YHMCLGSGZWVMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)9-5-8(10)4-7(3)11-9/h6,8-10H,3-5H2,1-2H3.
What are the key properties of 2-methylidene-6-propan-2-yloxan-4-ol?
2-methylidene-6-propan-2-yloxan-4-ol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-propan-2-yloxan-4-ol is sourced from PubChem (CID 59873113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).