(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol

C11H22O3 — CID 21980

IUPAC(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCCC1(CC)OCC(CO)O1
InChIInChI=1S/C11H22O3/c1-3-5-6-7-11(4-2)13-9-10(8-12)14-11/h10,12H,3-9H2,1-2H3
InChIKeySIGRDOVOVHZTGC-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.08
Rot. Bonds6

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

(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol (PubChem CID 21980) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
PubChem CID21980
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCCC1(CC)OCC(CO)O1
InChIInChI=1S/C11H22O3/c1-3-5-6-7-11(4-2)13-9-10(8-12)14-11/h10,12H,3-9H2,1-2H3
InChIKeySIGRDOVOVHZTGC-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.08
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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Related Compounds

(2-hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 21868
(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol
CID 58883730
(2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol
CID 142748309
2-[2-[(6Z,9Z)-octadeca-6,9-dienyl]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienyl]-1,3-dioxolan-4-yl]ethanol
CID 70807768
2-[2,2-bis(octadeca-9,12-dienyl)-1,3-dioxolan-4-yl]ethanol
CID 68524458
N,N-bis[4-(2,2-dihexyl-1,3-dioxolan-4-yl)butyl]hexan-1-amine
CID 169169928
1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine
CID 13264226
4-(chloromethyl)-2-octadeca-9,12-dienyl-2-octadecyl-1,3-dioxolane
CID 91555215
4-(chloromethyl)-2-heptadeca-8,11-dienyl-2-octadeca-9,12-dienyl-1,3-dioxolane
CID 76749811
2-heptadeca-8,10-dienyl-4-(hydroxymethyl)-1,3-dioxolan-2-ol
CID 123144955
4-butyl-2,2-dipropyl-1,3-dioxolane
CID 54392878
1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]piperidine
CID 13264227

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol (CID 21980) is (2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol is CCCCCC1(CC)OCC(CO)O1.
What is the InChIKey of (2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is SIGRDOVOVHZTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-5-6-7-11(4-2)13-9-10(8-12)14-11/h10,12H,3-9H2,1-2H3.
What are the key properties of (2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol?
(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 202.29 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 21980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).