1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol

C15H28O3 — CID 115820832

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28O3/c1-3-12(2)10-14(16)13-4-7-18-15(11-13)5-8-17-9-6-15/h12-14,16H,3-11H2,1-2H3
InChIKeyZKCYMUBQXBOLIW-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.76
Rot. Bonds4

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol (PubChem CID 115820832) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
PubChem CID115820832
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28O3/c1-3-12(2)10-14(16)13-4-7-18-15(11-13)5-8-17-9-6-15/h12-14,16H,3-11H2,1-2H3
InChIKeyZKCYMUBQXBOLIW-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105113903
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol
CID 115820972
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79923333
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5,5-trimethylhexan-1-ol
CID 115823302
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
CID 114200597
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 79914707
7-butan-2-yl-4-oxaspiro[2.5]octane
CID 170965398
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752395
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol (CID 115820832) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol is CCC(C)CC(O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol?
The InChIKey is ZKCYMUBQXBOLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-3-12(2)10-14(16)13-4-7-18-15(11-13)5-8-17-9-6-15/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 115820832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).