4-(1,3-dioxolan-2-yl)heptane-1,7-diol

C10H20O4 — CID 134273656

IUPAC4-(1,3-dioxolan-2-yl)heptane-1,7-diol
SMILESOCCCC(CCCO)C1OCCO1
InChIInChI=1S/C10H20O4/c11-5-1-3-9(4-2-6-12)10-13-7-8-14-10/h9-12H,1-8H2
InChIKeyKOSNCRQPMSYLJR-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.52
Rot. Bonds7

About 4-(1,3-dioxolan-2-yl)heptane-1,7-diol

4-(1,3-dioxolan-2-yl)heptane-1,7-diol (PubChem CID 134273656) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)heptane-1,7-diol.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)heptane-1,7-diol
PubChem CID134273656
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name4-(1,3-dioxolan-2-yl)heptane-1,7-diol
SMILESOCCCC(CCCO)C1OCCO1
InChIInChI=1S/C10H20O4/c11-5-1-3-9(4-2-6-12)10-13-7-8-14-10/h9-12H,1-8H2
InChIKeyKOSNCRQPMSYLJR-UHFFFAOYSA-N
XLogP0.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)heptane-1,7-diol?
The IUPAC name of 4-(1,3-dioxolan-2-yl)heptane-1,7-diol (CID 134273656) is 4-(1,3-dioxolan-2-yl)heptane-1,7-diol.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)heptane-1,7-diol?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)heptane-1,7-diol is OCCCC(CCCO)C1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)heptane-1,7-diol?
The InChIKey is KOSNCRQPMSYLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c11-5-1-3-9(4-2-6-12)10-13-7-8-14-10/h9-12H,1-8H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)heptane-1,7-diol?
4-(1,3-dioxolan-2-yl)heptane-1,7-diol has a molecular weight of 204.27 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)heptane-1,7-diol is sourced from PubChem (CID 134273656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).