3-(chloromethyl)-2-hexyloxolane

C11H21ClO — CID 79373695

IUPAC3-(chloromethyl)-2-hexyloxolane
SMILESCCCCCCC1OCCC1CCl
InChIInChI=1S/C11H21ClO/c1-2-3-4-5-6-11-10(9-12)7-8-13-11/h10-11H,2-9H2,1H3
InChIKeyLKTPZVVUJYAKBW-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.60
Rot. Bonds6

About 3-(chloromethyl)-2-hexyloxolane

3-(chloromethyl)-2-hexyloxolane (PubChem CID 79373695) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 3-(chloromethyl)-2-hexyloxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-hexyloxolane
PubChem CID79373695
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name3-(chloromethyl)-2-hexyloxolane
SMILESCCCCCCC1OCCC1CCl
InChIInChI=1S/C11H21ClO/c1-2-3-4-5-6-11-10(9-12)7-8-13-11/h10-11H,2-9H2,1H3
InChIKeyLKTPZVVUJYAKBW-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-octyl-3-pentyloxane
CID 20849211
1-(2-hexyloxan-3-yl)-N-methylmethanamine
CID 79365540
2-octadecyloxetane
CID 168986267
2-butyloxolan-3-amine
CID 79365227
3-pentyloxolan-2-ol
CID 13291787
6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol
CID 67872617
2-pentyloxolane-3-carboxylic acid
CID 79368786
ethanol;2-pentadecyloxetane
CID 68938646
(2-propyloxolan-3-yl)methanamine
CID 79368036
(2S,3S)-2-heptyl-3-prop-1-en-2-yloxane
CID 101459503
methyl 8-[3-(2-hydroxyoctyl)oxolan-2-yl]octanoate
CID 175456370
(1R,4aS,8aS)-6-fluoro-1-heptyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154716801

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-hexyloxolane?
The IUPAC name of 3-(chloromethyl)-2-hexyloxolane (CID 79373695) is 3-(chloromethyl)-2-hexyloxolane.
What is the SMILES notation for 3-(chloromethyl)-2-hexyloxolane?
The canonical SMILES for 3-(chloromethyl)-2-hexyloxolane is CCCCCCC1OCCC1CCl.
What is the InChIKey of 3-(chloromethyl)-2-hexyloxolane?
The InChIKey is LKTPZVVUJYAKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-2-3-4-5-6-11-10(9-12)7-8-13-11/h10-11H,2-9H2,1H3.
What are the key properties of 3-(chloromethyl)-2-hexyloxolane?
3-(chloromethyl)-2-hexyloxolane has a molecular weight of 204.74 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-hexyloxolane is sourced from PubChem (CID 79373695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).