1-(1,3-dioxol-4-yl)tetradecan-2-ol

C17H32O3 — CID 172677950

IUPAC1-(1,3-dioxol-4-yl)tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CC1=COCO1
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)13-17-14-19-15-20-17/h14,16,18H,2-13,15H2,1H3
InChIKeyGVQKYFSXYXWJBU-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.89
Rot. Bonds13

About 1-(1,3-dioxol-4-yl)tetradecan-2-ol

1-(1,3-dioxol-4-yl)tetradecan-2-ol (PubChem CID 172677950) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(1,3-dioxol-4-yl)tetradecan-2-ol.

Molecular Properties

Compound Name1-(1,3-dioxol-4-yl)tetradecan-2-ol
PubChem CID172677950
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name1-(1,3-dioxol-4-yl)tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CC1=COCO1
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)13-17-14-19-15-20-17/h14,16,18H,2-13,15H2,1H3
InChIKeyGVQKYFSXYXWJBU-UHFFFAOYSA-N
XLogP4.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.89
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

(4S,6R)-6-(methoxymethoxy)tridec-1-en-4-ol
CID 12187867
(E)-1-(methoxymethoxy)tetradec-1-en-3-ol
CID 10107312
(Z)-10-[2-[(E)-10-hydroxydec-1-enoxy]-3-(2-methoxyethoxymethoxy)propoxy]dec-9-en-1-ol
CID 9982967
(Z)-1-(methoxymethoxy)tetradec-1-en-3-ol
CID 10378564
(4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol
CID 46844231
(4R,6R)-6-(methoxymethoxy)heptadec-1-en-4-ol
CID 62705403
(4S,6S)-4-(methoxymethoxy)pentadec-1-en-6-ol
CID 71479562
(4S,7S)-7-(methoxymethoxy)henicos-1-en-4-ol
CID 71567302
(4R,6S,9S)-9-(methoxymethoxy)tricos-1-ene-4,6-diol
CID 71567434
2-(2-Methoxyethoxymethoxy)non-1-en-4-ol
CID 102050978
(E,4R)-1-(methoxymethoxy)heptadec-1-en-4-ol
CID 102411057
(E,5R,7R)-5-(methoxymethoxy)octadec-2-en-7-ol
CID 102467913

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxol-4-yl)tetradecan-2-ol?
The IUPAC name of 1-(1,3-dioxol-4-yl)tetradecan-2-ol (CID 172677950) is 1-(1,3-dioxol-4-yl)tetradecan-2-ol.
What is the SMILES notation for 1-(1,3-dioxol-4-yl)tetradecan-2-ol?
The canonical SMILES for 1-(1,3-dioxol-4-yl)tetradecan-2-ol is CCCCCCCCCCCCC(O)CC1=COCO1.
What is the InChIKey of 1-(1,3-dioxol-4-yl)tetradecan-2-ol?
The InChIKey is GVQKYFSXYXWJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)13-17-14-19-15-20-17/h14,16,18H,2-13,15H2,1H3.
What are the key properties of 1-(1,3-dioxol-4-yl)tetradecan-2-ol?
1-(1,3-dioxol-4-yl)tetradecan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 4.89, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxol-4-yl)tetradecan-2-ol is sourced from PubChem (CID 172677950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).