2,2-dimethyl-4-octyloxan-4-ol

C15H30O2 — CID 65149209

IUPAC2,2-dimethyl-4-octyloxan-4-ol
SMILESCCCCCCCCC1(O)CCOC(C)(C)C1
InChIInChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-15(16)11-12-17-14(2,3)13-15/h16H,4-13H2,1-3H3
InChIKeyGDYWHHMMRVBXOR-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.06
Rot. Bonds7

About 2,2-dimethyl-4-octyloxan-4-ol

2,2-dimethyl-4-octyloxan-4-ol (PubChem CID 65149209) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-octyloxan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-octyloxan-4-ol
PubChem CID65149209
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2,2-dimethyl-4-octyloxan-4-ol
SMILESCCCCCCCCC1(O)CCOC(C)(C)C1
InChIInChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-15(16)11-12-17-14(2,3)13-15/h16H,4-13H2,1-3H3
InChIKeyGDYWHHMMRVBXOR-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-4-methyl-2-(2-methylpropyl)-2H-pyran-4-ol
CID 3017432
1-Octanol, 7-methoxy-3,7-dimethyl-
CID 170041
2H-Pyran-4-ol, 2-(1-ethylpropyl)tetrahydro-4-methyl-
CID 44464839
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4R)-
CID 12104426
1-Oxaspiro(5.5)undecan-4-ol, 4-methyl-
CID 92659
6-Oxaspiro(4.5)decan-9-ol
CID 24809475
(2,2,6,6-tetramethyl-tetrahydro-2H-pyran-4-yl)methanol
CID 67323065
4-Methyl-2-propyltetrahydro-2h-pyran-4-ol
CID 12236981
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2S,4S)-
CID 12104424
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4S)-
CID 12104425
3-Butyl-5-methyloxan-4-ol
CID 85799495
2-(6,6-Dimethyloxan-2-yl)ethan-1-ol
CID 178199935

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-octyloxan-4-ol?
The IUPAC name of 2,2-dimethyl-4-octyloxan-4-ol (CID 65149209) is 2,2-dimethyl-4-octyloxan-4-ol.
What is the SMILES notation for 2,2-dimethyl-4-octyloxan-4-ol?
The canonical SMILES for 2,2-dimethyl-4-octyloxan-4-ol is CCCCCCCCC1(O)CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-octyloxan-4-ol?
The InChIKey is GDYWHHMMRVBXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-15(16)11-12-17-14(2,3)13-15/h16H,4-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-octyloxan-4-ol?
2,2-dimethyl-4-octyloxan-4-ol has a molecular weight of 242.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-octyloxan-4-ol is sourced from PubChem (CID 65149209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).