4-methyl-2-prop-2-enyloxan-2-ol

C9H16O2 — CID 10877368

IUPAC4-methyl-2-prop-2-enyloxan-2-ol
SMILESC=CCC1(O)CC(C)CCO1
InChIInChI=1S/C9H16O2/c1-3-5-9(10)7-8(2)4-6-11-9/h3,8,10H,1,4-7H2,2H3
InChIKeyCSIFDNMVFDPIOR-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds2

About 4-methyl-2-prop-2-enyloxan-2-ol

4-methyl-2-prop-2-enyloxan-2-ol (PubChem CID 10877368) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enyloxan-2-ol.

Molecular Properties

Compound Name4-methyl-2-prop-2-enyloxan-2-ol
PubChem CID10877368
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-methyl-2-prop-2-enyloxan-2-ol
SMILESC=CCC1(O)CC(C)CCO1
InChIInChI=1S/C9H16O2/c1-3-5-9(10)7-8(2)4-6-11-9/h3,8,10H,1,4-7H2,2H3
InChIKeyCSIFDNMVFDPIOR-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-prop-2-enylcyclopentan-1-ol
CID 10034708
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335
7-prop-2-enylbicyclo[2.2.1]heptan-7-ol
CID 171053323
(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol
CID 59705891
(7S)-7-methyl-4-oxaspiro[2.5]octane
CID 139336511
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
2,2-dimethoxy-4-methyloxane
CID 13134669
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
CID 4712374
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
[(2R)-2-[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxymethyl]oxolan-2-yl]methanol
CID 10662771
2-(methoxymethyl)oxane-2,4-diol
CID 176878463

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-2-enyloxan-2-ol?
The IUPAC name of 4-methyl-2-prop-2-enyloxan-2-ol (CID 10877368) is 4-methyl-2-prop-2-enyloxan-2-ol.
What is the SMILES notation for 4-methyl-2-prop-2-enyloxan-2-ol?
The canonical SMILES for 4-methyl-2-prop-2-enyloxan-2-ol is C=CCC1(O)CC(C)CCO1.
What is the InChIKey of 4-methyl-2-prop-2-enyloxan-2-ol?
The InChIKey is CSIFDNMVFDPIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-9(10)7-8(2)4-6-11-9/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 4-methyl-2-prop-2-enyloxan-2-ol?
4-methyl-2-prop-2-enyloxan-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enyloxan-2-ol is sourced from PubChem (CID 10877368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).