4-hexan-3-yloxane

C11H22O — CID 118974929

IUPAC4-hexan-3-yloxane
SMILESCCCC(CC)C1CCOCC1
InChIInChI=1S/C11H22O/c1-3-5-10(4-2)11-6-8-12-9-7-11/h10-11H,3-9H2,1-2H3
InChIKeyINSDXVAUGRCGEJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds4

About 4-hexan-3-yloxane

4-hexan-3-yloxane (PubChem CID 118974929) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-hexan-3-yloxane.

Molecular Properties

Compound Name4-hexan-3-yloxane
PubChem CID118974929
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-hexan-3-yloxane
SMILESCCCC(CC)C1CCOCC1
InChIInChI=1S/C11H22O/c1-3-5-10(4-2)11-6-8-12-9-7-11/h10-11H,3-9H2,1-2H3
InChIKeyINSDXVAUGRCGEJ-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-heptan-4-yloxolane
CID 162375259
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
4-(1-phenylhept-1-en-4-yl)oxane
CID 54151288
3-(oxolan-3-yl)hexanenitrile
CID 142587151
2-(oxan-4-yl)-4-(propylamino)butan-1-ol
CID 165467754
2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol
CID 115906358
pentan-3-ylcyclopropane
CID 19042038
1-(oxolan-3-yl)butan-1-amine
CID 63564938
3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane
CID 123239520
3-(1-bromobutyl)oxolane
CID 83051784
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
1-hexan-3-yl-3-methylcyclohexane
CID 143887329

Frequently Asked Questions

What is the IUPAC name of 4-hexan-3-yloxane?
The IUPAC name of 4-hexan-3-yloxane (CID 118974929) is 4-hexan-3-yloxane.
What is the SMILES notation for 4-hexan-3-yloxane?
The canonical SMILES for 4-hexan-3-yloxane is CCCC(CC)C1CCOCC1.
What is the InChIKey of 4-hexan-3-yloxane?
The InChIKey is INSDXVAUGRCGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-10(4-2)11-6-8-12-9-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-hexan-3-yloxane?
4-hexan-3-yloxane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-3-yloxane is sourced from PubChem (CID 118974929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).