2-tetradecyloxolane

C18H36O — CID 10683364

IUPAC2-tetradecyloxolane
SMILESCCCCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19-18/h18H,2-17H2,1H3
InChIKeyKQKGTCUKCPVIJW-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.26
Rot. Bonds13

About 2-tetradecyloxolane

2-tetradecyloxolane (PubChem CID 10683364) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 2-tetradecyloxolane.

Molecular Properties

Compound Name2-tetradecyloxolane
PubChem CID10683364
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name2-tetradecyloxolane
SMILESCCCCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19-18/h18H,2-17H2,1H3
InChIKeyKQKGTCUKCPVIJW-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hexyloxolane;oxolane
CID 173130151
2-octadecyloxetane
CID 168986267
2-butyloxolane;pentylcyclopentane
CID 143579314
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
ethanol;2-pentadecyloxetane
CID 68938646
1-(oxolan-2-yl)undecan-4-one
CID 114976697
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
diethyl-[6-(oxolan-2-yl)hexyl]sulfanium
CID 23326620
cyclopropylmethyl-heptyl-[6-(oxan-2-yl)hexyl]sulfanium
CID 88679064
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium
CID 23326622

Frequently Asked Questions

What is the IUPAC name of 2-tetradecyloxolane?
The IUPAC name of 2-tetradecyloxolane (CID 10683364) is 2-tetradecyloxolane.
What is the SMILES notation for 2-tetradecyloxolane?
The canonical SMILES for 2-tetradecyloxolane is CCCCCCCCCCCCCCC1CCCO1.
What is the InChIKey of 2-tetradecyloxolane?
The InChIKey is KQKGTCUKCPVIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19-18/h18H,2-17H2,1H3.
What are the key properties of 2-tetradecyloxolane?
2-tetradecyloxolane has a molecular weight of 268.48 g/mol, XLogP of 6.26, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecyloxolane is sourced from PubChem (CID 10683364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).