ethene;3-methyl-6-propan-2-yloxan-2-ol

C11H22O2 — CID 143052735

IUPACethene;3-methyl-6-propan-2-yloxan-2-ol
SMILESC=C.CC(C)C1CCC(C)C(O)O1
InChIInChI=1S/C9H18O2.C2H4/c1-6(2)8-5-4-7(3)9(10)11-8;1-2/h6-10H,4-5H2,1-3H3;1-2H2
InChIKeyCZZWNODFEBCJDR-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.58
Rot. Bonds1

About ethene;3-methyl-6-propan-2-yloxan-2-ol

ethene;3-methyl-6-propan-2-yloxan-2-ol (PubChem CID 143052735) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is ethene;3-methyl-6-propan-2-yloxan-2-ol.

Molecular Properties

Compound Nameethene;3-methyl-6-propan-2-yloxan-2-ol
PubChem CID143052735
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Nameethene;3-methyl-6-propan-2-yloxan-2-ol
SMILESC=C.CC(C)C1CCC(C)C(O)O1
InChIInChI=1S/C9H18O2.C2H4/c1-6(2)8-5-4-7(3)9(10)11-8;1-2/h6-10H,4-5H2,1-3H3;1-2H2
InChIKeyCZZWNODFEBCJDR-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.58
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-2,6-di(propan-2-yl)oxane
CID 144905870
(2R,5S)-2,5-di(propan-2-yl)oxolane
CID 12641398
(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol
CID 163085908
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
2,6-di(propan-2-yl)oxane
CID 58987631
(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661
2-(1-bromoethyl)-5-propan-2-yloxolane
CID 71321882
ethane;(5-propan-2-yloxolan-2-yl)methanol
CID 170570841
(2S)-2-methyl-6-propan-2-yloxane
CID 118613314
trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 70559750
trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 130927478
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123

Frequently Asked Questions

What is the IUPAC name of ethene;3-methyl-6-propan-2-yloxan-2-ol?
The IUPAC name of ethene;3-methyl-6-propan-2-yloxan-2-ol (CID 143052735) is ethene;3-methyl-6-propan-2-yloxan-2-ol.
What is the SMILES notation for ethene;3-methyl-6-propan-2-yloxan-2-ol?
The canonical SMILES for ethene;3-methyl-6-propan-2-yloxan-2-ol is C=C.CC(C)C1CCC(C)C(O)O1.
What is the InChIKey of ethene;3-methyl-6-propan-2-yloxan-2-ol?
The InChIKey is CZZWNODFEBCJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C2H4/c1-6(2)8-5-4-7(3)9(10)11-8;1-2/h6-10H,4-5H2,1-3H3;1-2H2.
What are the key properties of ethene;3-methyl-6-propan-2-yloxan-2-ol?
ethene;3-methyl-6-propan-2-yloxan-2-ol has a molecular weight of 186.29 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-methyl-6-propan-2-yloxan-2-ol is sourced from PubChem (CID 143052735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).