2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol

C11H20O2 — CID 11159712

IUPAC2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol
SMILESC=CC(C)(O)CC1CC(C)CCO1
InChIInChI=1S/C11H20O2/c1-4-11(3,12)8-10-7-9(2)5-6-13-10/h4,9-10,12H,1,5-8H2,2-3H3
InChIKeyKXFHVUCFAGOCSF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds3

About 2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol

2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol (PubChem CID 11159712) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol
PubChem CID11159712
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol
SMILESC=CC(C)(O)CC1CC(C)CCO1
InChIInChI=1S/C11H20O2/c1-4-11(3,12)8-10-7-9(2)5-6-13-10/h4,9-10,12H,1,5-8H2,2-3H3
InChIKeyKXFHVUCFAGOCSF-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
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

(2R,4S)-4-methyl-2-(2-methylpropyl)oxane
CID 12684606
(4R)-2-(fluoromethyl)-4-methyloxane
CID 170380668
4-methyl-2-(2,3,3-trichloroprop-2-enyl)oxane
CID 54001298
2,4-dimethyloxane;ethene;methanol
CID 145468065
2-methyl-3-(4-methyloxan-2-yl)propanal
CID 130025863
2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid
CID 102639762
acetylene;2,4-dimethyloxane
CID 142252938
(4R)-2,4-dimethyloxane
CID 129313541
2,4-dimethyloxane;methane;methanol
CID 145467505
2,6-dimethyl-1,3-dioxocane
CID 67957151
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
2,4-dimethyloxane;ethane
CID 143101228

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol?
The IUPAC name of 2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol (CID 11159712) is 2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol.
What is the SMILES notation for 2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol?
The canonical SMILES for 2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol is C=CC(C)(O)CC1CC(C)CCO1.
What is the InChIKey of 2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol?
The InChIKey is KXFHVUCFAGOCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-11(3,12)8-10-7-9(2)5-6-13-10/h4,9-10,12H,1,5-8H2,2-3H3.
What are the key properties of 2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol?
2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol is sourced from PubChem (CID 11159712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).