4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol

C10H18O2 — CID 130646127

IUPAC4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol
SMILESCC(C)=CC1(O)COCC1(C)C
InChIInChI=1S/C10H18O2/c1-8(2)5-10(11)7-12-6-9(10,3)4/h5,11H,6-7H2,1-4H3
InChIKeyOHGFMWOBCXNTFJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds1

About 4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol

4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol (PubChem CID 130646127) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol
PubChem CID130646127
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol
SMILESCC(C)=CC1(O)COCC1(C)C
InChIInChI=1S/C10H18O2/c1-8(2)5-10(11)7-12-6-9(10,3)4/h5,11H,6-7H2,1-4H3
InChIKeyOHGFMWOBCXNTFJ-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
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

2,5,5-trimethyl-1,3-dioxan-2-ol
CID 71420298
2,2-dimethyloxirane;methanol
CID 161373463
(3R)-3,4,4-trimethyloxan-3-ol
CID 167089912
(1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol
CID 131004421
2,3,3-trifluoro-4,4-dimethyloxolan-2-ol
CID 164772515
(3R)-3-cyclopropyl-3,4,4-trimethyloxolane
CID 171522728
(3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate
CID 69419737
3-methyloxetane-3-carbaldehyde
CID 18962468
3-(methylamino)oxetan-3-ol
CID 123559940
(7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol
CID 130642339
trimethyl-[1-(2-methylprop-1-enyl)cyclopentyl]silane
CID 151060919
3,5-bis(hydroxymethyl)-3,5-dimethyloxan-4-ol
CID 154094053

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol?
The IUPAC name of 4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol (CID 130646127) is 4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol.
What is the SMILES notation for 4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol?
The canonical SMILES for 4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol is CC(C)=CC1(O)COCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol?
The InChIKey is OHGFMWOBCXNTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-10(11)7-12-6-9(10,3)4/h5,11H,6-7H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol?
4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(2-methylprop-1-enyl)oxolan-3-ol is sourced from PubChem (CID 130646127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).