(2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol

C11H22O3 — CID 142748309

IUPAC(2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol
SMILESCCCCC1(CO)OCC(CCC)O1
InChIInChI=1S/C11H22O3/c1-3-5-7-11(9-12)13-8-10(14-11)6-4-2/h10,12H,3-9H2,1-2H3
InChIKeyZQQSWIFGNXFWPT-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.08
Rot. Bonds6

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

(2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol (PubChem CID 142748309) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol.

Molecular Properties

Compound Name(2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol
PubChem CID142748309
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol
SMILESCCCCC1(CO)OCC(CCC)O1
InChIInChI=1S/C11H22O3/c1-3-5-7-11(9-12)13-8-10(14-11)6-4-2/h10,12H,3-9H2,1-2H3
InChIKeyZQQSWIFGNXFWPT-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

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Related Compounds

4-butyl-2,2-dipropyl-1,3-dioxolane
CID 54392878
(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
CID 21980
2-[(9Z,12Z)-icosa-9,12-dienyl]-2-[(5Z,8Z)-pentadeca-5,8-dienyl]-4-propyl-1,3-dioxolane
CID 134393906
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
N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
CID 170573008
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
2,2-dibutyl-5-ethyl-1,3-dioxane
CID 129267797
2-[2-dodecyl-2-[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]ethanamine
CID 168848863
2-[2,2-bis[8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octyl]-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
CID 54596994
2-[2,2-bis[8-(nonylsulfanylmethylsulfanyl)octyl]-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
CID 170382432

Frequently Asked Questions

What is the IUPAC name of (2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol?
The IUPAC name of (2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol (CID 142748309) is (2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol.
What is the SMILES notation for (2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol?
The canonical SMILES for (2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol is CCCCC1(CO)OCC(CCC)O1.
What is the InChIKey of (2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol?
The InChIKey is ZQQSWIFGNXFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-5-7-11(9-12)13-8-10(14-11)6-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of (2-butyl-4-propyl-1,3-dioxolan-2-yl)methanol?
(2-butyl-4-propyl-1,3-dioxolan-2-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-butyl-4-propyl-1,3-dioxolan-2-yl)methanol is sourced from PubChem (CID 142748309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).