(2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol

C21H40O3 — CID 56617603

IUPAC(2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCCCCCC=CCCCCCCCC1OCC(CO)O1
InChIInChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-19-20(18-22)24-21/h9-10,20-22H,2-8,11-19H2,1H3
InChIKeyMFEIJHSKNDNTLA-UHFFFAOYSA-N
MW340.55 g/mol
LogP5.76
Rot. Bonds16

About (2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol

(2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol (PubChem CID 56617603) has the molecular formula C21H40O3 and a molecular weight of 340.55 g/mol. Its IUPAC name is (2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol
PubChem CID56617603
Molecular FormulaC21H40O3
Molecular Weight340.55 g/mol
Exact Mass340.30
IUPAC Name(2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCCCCCC=CCCCCCCCC1OCC(CO)O1
InChIInChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-19-20(18-22)24-21/h9-10,20-22H,2-8,11-19H2,1H3
InChIKeyMFEIJHSKNDNTLA-UHFFFAOYSA-N
XLogP5.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol (CID 56617603) is (2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol is CCCCCCCCC=CCCCCCCCC1OCC(CO)O1.
What is the InChIKey of (2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is MFEIJHSKNDNTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-19-20(18-22)24-21/h9-10,20-22H,2-8,11-19H2,1H3.
What are the key properties of (2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol?
(2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 340.55 g/mol, XLogP of 5.76, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptadec-8-enyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 56617603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).