[2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol

C15H30O3 — CID 123961032

IUPAC[2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)CC(C)CCCCCC1OCC(CO)O1
InChIInChI=1S/C15H30O3/c1-12(2)9-13(3)7-5-4-6-8-15-17-11-14(10-16)18-15/h12-16H,4-11H2,1-3H3
InChIKeyLFPUGFXFRFMEQA-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.35
Rot. Bonds9

About [2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol

[2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 123961032) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is [2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol
PubChem CID123961032
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name[2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)CC(C)CCCCCC1OCC(CO)O1
InChIInChI=1S/C15H30O3/c1-12(2)9-13(3)7-5-4-6-8-15-17-11-14(10-16)18-15/h12-16H,4-11H2,1-3H3
InChIKeyLFPUGFXFRFMEQA-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 115094395
[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 125479888
[2-[7-[4-(hydroxymethyl)-1,3-dioxan-2-yl]heptyl]-1,3-dioxan-4-yl]methanol
CID 11302020
[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
CID 54234311
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
3-methyl-1-(3-methylbutoxy)butane;oxiran-2-ylmethanol
CID 174734254
2-(2,4-dimethylpentyl)oxirane
CID 14618591
methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol
CID 145138269
3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 117168285
2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
CID 174542269
(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
CID 123535578
2-(2-methylpentyl)-8-(oxiran-2-yl)octanoic acid
CID 87883553

Frequently Asked Questions

What is the IUPAC name of [2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol (CID 123961032) is [2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol is CC(C)CC(C)CCCCCC1OCC(CO)O1.
What is the InChIKey of [2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is LFPUGFXFRFMEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-12(2)9-13(3)7-5-4-6-8-15-17-11-14(10-16)18-15/h12-16H,4-11H2,1-3H3.
What are the key properties of [2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol?
[2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 258.40 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,8-dimethylnonyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 123961032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).