2-hexyloxolane;oxolane

C66H132O15 — CID 173130151

IUPAC2-hexyloxolane;oxolane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CCCCCCC1CCCO1
InChIInChI=1S/C10H20O.14C4H8O/c1-2-3-4-5-7-10-8-6-9-11-10;14*1-2-4-5-3-1/h10H,2-9H2,1H3;14*1-4H2
InChIKeySLFWPVRRJIRWBM-UHFFFAOYSA-N
MW1165.77 g/mol
LogP14.29
Rot. Bonds5

About 2-hexyloxolane;oxolane

2-hexyloxolane;oxolane (PubChem CID 173130151) has the molecular formula C66H132O15 and a molecular weight of 1165.77 g/mol. Its IUPAC name is 2-hexyloxolane;oxolane.

Molecular Properties

Compound Name2-hexyloxolane;oxolane
PubChem CID173130151
Molecular FormulaC66H132O15
Molecular Weight1165.77 g/mol
Exact Mass1164.96
IUPAC Name2-hexyloxolane;oxolane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CCCCCCC1CCCO1
InChIInChI=1S/C10H20O.14C4H8O/c1-2-3-4-5-7-10-8-6-9-11-10;14*1-2-4-5-3-1/h10H,2-9H2,1H3;14*1-4H2
InChIKeySLFWPVRRJIRWBM-UHFFFAOYSA-N
XLogP14.29
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001165.77
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

2-tetradecyloxolane
CID 10683364
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
2-octadecyloxetane
CID 168986267
2-butyloxolane;pentylcyclopentane
CID 143579314
1-(oxolan-2-yl)undecan-4-one
CID 114976697
ethanol;2-pentadecyloxetane
CID 68938646
5-tetradecyl-1,4-dioxa-8,11-dithiacyclotetradecane
CID 70172026
cyclopropylmethyl-heptyl-[6-(oxan-2-yl)hexyl]sulfanium
CID 88679064
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
hexyl 3-(oxolan-2-yl)propanoate
CID 78876896
3-[(2R)-oxolan-2-yl]propyl nonanoate
CID 98549345
3-[(2S)-oxolan-2-yl]propyl octanoate
CID 98092335

Frequently Asked Questions

What is the IUPAC name of 2-hexyloxolane;oxolane?
The IUPAC name of 2-hexyloxolane;oxolane (CID 173130151) is 2-hexyloxolane;oxolane.
What is the SMILES notation for 2-hexyloxolane;oxolane?
The canonical SMILES for 2-hexyloxolane;oxolane is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CCCCCCC1CCCO1.
What is the InChIKey of 2-hexyloxolane;oxolane?
The InChIKey is SLFWPVRRJIRWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.14C4H8O/c1-2-3-4-5-7-10-8-6-9-11-10;14*1-2-4-5-3-1/h10H,2-9H2,1H3;14*1-4H2.
What are the key properties of 2-hexyloxolane;oxolane?
2-hexyloxolane;oxolane has a molecular weight of 1165.77 g/mol, XLogP of 14.29, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyloxolane;oxolane is sourced from PubChem (CID 173130151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).