2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane

C24H46O3 — CID 70006739

IUPAC2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane
SMILESCCCCC(CC)C1(OC2(C(CC)CCCC)CCCCO2)CCCCO1
InChIInChI=1S/C24H46O3/c1-5-9-15-21(7-3)23(17-11-13-19-25-23)27-24(18-12-14-20-26-24)22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3
InChIKeyLTYGDCAMIYUQRW-UHFFFAOYSA-N
MW382.63 g/mol
LogP7.23
Rot. Bonds12

About 2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane

2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane (PubChem CID 70006739) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane.

Molecular Properties

Compound Name2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane
PubChem CID70006739
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane
SMILESCCCCC(CC)C1(OC2(C(CC)CCCC)CCCCO2)CCCCO1
InChIInChI=1S/C24H46O3/c1-5-9-15-21(7-3)23(17-11-13-19-25-23)27-24(18-12-14-20-26-24)22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3
InChIKeyLTYGDCAMIYUQRW-UHFFFAOYSA-N
XLogP7.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-2-methyloxane
CID 13494550
2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
CID 141006538
[(2S)-2-[(3S)-heptan-3-yl]oxiran-2-yl]methanol
CID 56631073
2-hexyl-2-methyloxane
CID 67835603
N,3-diethyl-1-(2-methyloxan-2-yl)heptan-1-amine
CID 80684028
[2-(octoxymethyl)oxan-2-yl]silane
CID 123215411
2-octan-3-yl-2-[(2-octan-3-yloxiran-2-yl)methoxymethyl]oxirane
CID 87059632
dimethyl-(2-nonadecan-2-yloxyoxan-2-yl)silane
CID 173200522
2,2-bis(4,4-difluorobutyl)oxane
CID 57090603
2-pentyloxan-2-ol
CID 10035063
2-dec-2-ynyl-2-(2-dec-2-ynyloxan-2-yl)oxyoxane
CID 68662932
1-(1-pentan-3-ylcyclohexyl)ethanone
CID 67989831

Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane?
The IUPAC name of 2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane (CID 70006739) is 2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane.
What is the SMILES notation for 2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane?
The canonical SMILES for 2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane is CCCCC(CC)C1(OC2(C(CC)CCCC)CCCCO2)CCCCO1.
What is the InChIKey of 2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane?
The InChIKey is LTYGDCAMIYUQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-5-9-15-21(7-3)23(17-11-13-19-25-23)27-24(18-12-14-20-26-24)22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3.
What are the key properties of 2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane?
2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane has a molecular weight of 382.63 g/mol, XLogP of 7.23, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yl-2-(2-heptan-3-yloxan-2-yl)oxyoxane is sourced from PubChem (CID 70006739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).