2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol

C17H32O3 — CID 559067

IUPAC2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol
SMILESCC(C=CC(O)(C(C)C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C17H32O3/c1-13(2)17(18,16(4,5)6)11-10-14(3)20-15-9-7-8-12-19-15/h10-11,13-15,18H,7-9,12H2,1-6H3
InChIKeyWGGVLNZCJCHZRL-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.91
Rot. Bonds5

About 2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol

2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol (PubChem CID 559067) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol
PubChem CID559067
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol
SMILESCC(C=CC(O)(C(C)C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C17H32O3/c1-13(2)17(18,16(4,5)6)11-10-14(3)20-15-9-7-8-12-19-15/h10-11,13-15,18H,7-9,12H2,1-6H3
InChIKeyWGGVLNZCJCHZRL-UHFFFAOYSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,9,10,12-tetraen-6-ol
CID 134983468
3-t-Butyl-2-methyl-6-(tetrahydropyran-2-yloxy)-hept-4-en-3-ol
CID 5367939
3,7,11-Trimethyl-12-(2-tetrahydropyranyl)oxy-1,6,10-dodecatrien-3-ol
CID 67848531
3,7,11-Trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-3-ol
CID 67848539
2-Methyl-14-(oxan-2-yloxy)tetradeca-3,8,12-trien-5-ol
CID 70413294
2-Tert-butyl-2,4-dimethyl-1-oct-4-en-3-yloxypentan-1-ol
CID 123490568
(6E,10E)-3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol
CID 141449230
ethane;(2E,6E)-2,5,6-trimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 142252414
(5E)-2-cyclopropyl-10-methyl-6-(oxan-2-yloxymethyl)undeca-5,9-dien-2-ol
CID 11198488
(4S,6S)-4-tert-butyl-6-[(E)-prop-1-enyl]oxan-2-ol
CID 131240566
1-[3-(1-Ethoxyethoxy)-1-buten-1-yl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-ol
CID 165342503

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol?
The IUPAC name of 2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol (CID 559067) is 2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol.
What is the SMILES notation for 2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol?
The canonical SMILES for 2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol is CC(C=CC(O)(C(C)C)C(C)(C)C)OC1CCCCO1.
What is the InChIKey of 2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol?
The InChIKey is WGGVLNZCJCHZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-13(2)17(18,16(4,5)6)11-10-14(3)20-15-9-7-8-12-19-15/h10-11,13-15,18H,7-9,12H2,1-6H3.
What are the key properties of 2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol?
2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol has a molecular weight of 284.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(oxan-2-yloxy)-3-propan-2-ylhept-4-en-3-ol is sourced from PubChem (CID 559067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).