3,3-dipentyloxane

C15H30O — CID 174267507

IUPAC3,3-dipentyloxane
SMILESCCCCCC1(CCCCC)CCCOC1
InChIInChI=1S/C15H30O/c1-3-5-7-10-15(11-8-6-4-2)12-9-13-16-14-15/h3-14H2,1-2H3
InChIKeyJARYCMRKOMSNSM-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.94
Rot. Bonds8

About 3,3-dipentyloxane

3,3-dipentyloxane (PubChem CID 174267507) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3,3-dipentyloxane.

Molecular Properties

Compound Name3,3-dipentyloxane
PubChem CID174267507
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3,3-dipentyloxane
SMILESCCCCCC1(CCCCC)CCCOC1
InChIInChI=1S/C15H30O/c1-3-5-7-10-15(11-8-6-4-2)12-9-13-16-14-15/h3-14H2,1-2H3
InChIKeyJARYCMRKOMSNSM-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.94
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

3-(bromomethyl)-3-hexyloxane
CID 66041468
(3-octyloxan-3-yl)methanol
CID 66058603
3-pentyloxan-3-ol
CID 65148784
3-(bromomethyl)-3-nonyloxolane
CID 66050745
3-octyloxan-3-ol
CID 65148950
1,1-dihexadecylcyclopentane
CID 141255150
1,1-dioctylcyclopentane
CID 54295272
1,1-dipentylcyclononane
CID 169026027
1,1-di(nonyl)cyclopentane
CID 154318487
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
N-[(3-decyloxolan-3-yl)methyl]ethanamine
CID 63502132
[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
CID 66059232

Frequently Asked Questions

What is the IUPAC name of 3,3-dipentyloxane?
The IUPAC name of 3,3-dipentyloxane (CID 174267507) is 3,3-dipentyloxane.
What is the SMILES notation for 3,3-dipentyloxane?
The canonical SMILES for 3,3-dipentyloxane is CCCCCC1(CCCCC)CCCOC1.
What is the InChIKey of 3,3-dipentyloxane?
The InChIKey is JARYCMRKOMSNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-3-5-7-10-15(11-8-6-4-2)12-9-13-16-14-15/h3-14H2,1-2H3.
What are the key properties of 3,3-dipentyloxane?
3,3-dipentyloxane has a molecular weight of 226.40 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dipentyloxane is sourced from PubChem (CID 174267507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).