1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol

C15H28O4 — CID 103459636

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
SMILESCCC(CC)C(O)C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H28O4/c1-3-11(4-2)13(16)14(17)12-5-7-19-15(9-12)6-8-18-10-15/h11-14,16-17H,3-10H2,1-2H3
InChIKeyYJLPVFINXRDYHN-UHFFFAOYSA-N
MW272.38 g/mol
LogP1.73
Rot. Bonds5

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol (PubChem CID 103459636) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
PubChem CID103459636
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
SMILESCCC(CC)C(O)C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H28O4/c1-3-11(4-2)13(16)14(17)12-5-7-19-15(9-12)6-8-18-10-15/h11-14,16-17H,3-10H2,1-2H3
InChIKeyYJLPVFINXRDYHN-UHFFFAOYSA-N
XLogP1.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethylbutyl]hydrazine
CID 105325531
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
CID 114200597
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
CID 115820832
2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
CID 79921502
2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79923466
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5,5-trimethylhexan-1-ol
CID 115823302

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol (CID 103459636) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol is CCC(CC)C(O)C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol?
The InChIKey is YJLPVFINXRDYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-11(4-2)13(16)14(17)12-5-7-19-15(9-12)6-8-18-10-15/h11-14,16-17H,3-10H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol has a molecular weight of 272.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol is sourced from PubChem (CID 103459636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).