1-(oxolan-2-yl)heptane-3,4-diol

C11H22O3 — CID 103454796

IUPAC1-(oxolan-2-yl)heptane-3,4-diol
SMILESCCCC(O)C(O)CCC1CCCO1
InChIInChI=1S/C11H22O3/c1-2-4-10(12)11(13)7-6-9-5-3-8-14-9/h9-13H,2-8H2,1H3
InChIKeyGUBUZFFMPMICFV-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.47
Rot. Bonds6

About 1-(oxolan-2-yl)heptane-3,4-diol

1-(oxolan-2-yl)heptane-3,4-diol (PubChem CID 103454796) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-(oxolan-2-yl)heptane-3,4-diol.

Molecular Properties

Compound Name1-(oxolan-2-yl)heptane-3,4-diol
PubChem CID103454796
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-(oxolan-2-yl)heptane-3,4-diol
SMILESCCCC(O)C(O)CCC1CCCO1
InChIInChI=1S/C11H22O3/c1-2-4-10(12)11(13)7-6-9-5-3-8-14-9/h9-13H,2-8H2,1H3
InChIKeyGUBUZFFMPMICFV-UHFFFAOYSA-N
XLogP1.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
4-methoxy-1-(oxolan-2-yl)heptan-3-ol
CID 116711704
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol
CID 79411600
5,5-dimethyl-1-(oxolan-2-yl)hexane-3,4-diol
CID 103457082
4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 115809388
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713
5-(oxolan-2-yl)-2-propylpentan-1-ol
CID 66058975
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)heptane-3,4-diol?
The IUPAC name of 1-(oxolan-2-yl)heptane-3,4-diol (CID 103454796) is 1-(oxolan-2-yl)heptane-3,4-diol.
What is the SMILES notation for 1-(oxolan-2-yl)heptane-3,4-diol?
The canonical SMILES for 1-(oxolan-2-yl)heptane-3,4-diol is CCCC(O)C(O)CCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)heptane-3,4-diol?
The InChIKey is GUBUZFFMPMICFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-4-10(12)11(13)7-6-9-5-3-8-14-9/h9-13H,2-8H2,1H3.
What are the key properties of 1-(oxolan-2-yl)heptane-3,4-diol?
1-(oxolan-2-yl)heptane-3,4-diol has a molecular weight of 202.29 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)heptane-3,4-diol is sourced from PubChem (CID 103454796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).