(2-pentylidene-1,3-dioxolan-4-yl)methanol

C9H16O3 — CID 67855464

IUPAC(2-pentylidene-1,3-dioxolan-4-yl)methanol
SMILESCCCCC=C1OCC(CO)O1
InChIInChI=1S/C9H16O3/c1-2-3-4-5-9-11-7-8(6-10)12-9/h5,8,10H,2-4,6-7H2,1H3
InChIKeyAQTDFDZBSNHZSB-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.43
Rot. Bonds4

About (2-pentylidene-1,3-dioxolan-4-yl)methanol

(2-pentylidene-1,3-dioxolan-4-yl)methanol (PubChem CID 67855464) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2-pentylidene-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-pentylidene-1,3-dioxolan-4-yl)methanol
PubChem CID67855464
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2-pentylidene-1,3-dioxolan-4-yl)methanol
SMILESCCCCC=C1OCC(CO)O1
InChIInChI=1S/C9H16O3/c1-2-3-4-5-9-11-7-8(6-10)12-9/h5,8,10H,2-4,6-7H2,1H3
InChIKeyAQTDFDZBSNHZSB-UHFFFAOYSA-N
XLogP1.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-pentylidene-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-pentylidene-1,3-dioxolan-4-yl)methanol (CID 67855464) is (2-pentylidene-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-pentylidene-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-pentylidene-1,3-dioxolan-4-yl)methanol is CCCCC=C1OCC(CO)O1.
What is the InChIKey of (2-pentylidene-1,3-dioxolan-4-yl)methanol?
The InChIKey is AQTDFDZBSNHZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-4-5-9-11-7-8(6-10)12-9/h5,8,10H,2-4,6-7H2,1H3.
What are the key properties of (2-pentylidene-1,3-dioxolan-4-yl)methanol?
(2-pentylidene-1,3-dioxolan-4-yl)methanol has a molecular weight of 172.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentylidene-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 67855464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).