(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol

C18H36O3 — CID 58883730

IUPAC(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCCCCCCCCCCC1(C)OCC(CO)O1
InChIInChI=1S/C18H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(2)20-16-17(15-19)21-18/h17,19H,3-16H2,1-2H3
InChIKeySNIFEISHWOGSKH-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.81
Rot. Bonds13

About (2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol

(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol (PubChem CID 58883730) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is (2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol
PubChem CID58883730
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCCCCCCCCCCC1(C)OCC(CO)O1
InChIInChI=1S/C18H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(2)20-16-17(15-19)21-18/h17,19H,3-16H2,1-2H3
InChIKeySNIFEISHWOGSKH-UHFFFAOYSA-N
XLogP4.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.81
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

(2-hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 21868
[(2S,4S)-2-methyl-2-nonyl-1,3-dioxolan-4-yl]methyl carbamate
CID 76959250
(2-methyl-2-undecyl-1,3-dioxolan-4-yl)methyl hydrogen sulfate
CID 101039076
(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
CID 21980
4-[(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methoxy]butane-1-thiol
CID 88985097
[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 71445983
2-heptadeca-8,10-dienyl-4-(hydroxymethyl)-1,3-dioxolan-2-ol
CID 123144955
2-heptadeca-8,11-dienyl-4-(hydroxymethyl)-1,3-dioxolan-2-ol
CID 123626139
[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol
CID 131089318
2-[2-(3-hydroxypropyl)-2-methyl-1,3-dioxolan-4-yl]acetonitrile
CID 117168302
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
(2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl (4-nitrophenyl) carbonate
CID 155794483

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol (CID 58883730) is (2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol is CCCCCCCCCCCCCC1(C)OCC(CO)O1.
What is the InChIKey of (2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is SNIFEISHWOGSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(2)20-16-17(15-19)21-18/h17,19H,3-16H2,1-2H3.
What are the key properties of (2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol?
(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 300.48 g/mol, XLogP of 4.81, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 58883730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).