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

C11H22O3 — CID 21905

IUPAC(2-heptan-3-yl-1,3-dioxolan-4-yl)methanol
SMILESCCCCC(CC)C1OCC(CO)O1
InChIInChI=1S/C11H22O3/c1-3-5-6-9(4-2)11-13-8-10(7-12)14-11/h9-12H,3-8H2,1-2H3
InChIKeyVNMRSUHVTDURNJ-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.94
Rot. Bonds6

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

(2-heptan-3-yl-1,3-dioxolan-4-yl)methanol (PubChem CID 21905) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-heptan-3-yl-1,3-dioxolan-4-yl)methanol
PubChem CID21905
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2-heptan-3-yl-1,3-dioxolan-4-yl)methanol
SMILESCCCCC(CC)C1OCC(CO)O1
InChIInChI=1S/C11H22O3/c1-3-5-6-9(4-2)11-13-8-10(7-12)14-11/h9-12H,3-8H2,1-2H3
InChIKeyVNMRSUHVTDURNJ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Heptanal 1,2-glyceryl acetal
CID 15571
2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol
CID 21869
4-Hydroxymethyl-2-(2-methylpropyl)-1,3-dioxolane
CID 71587178
2-Methyl-2-pentyl-1,3-dioxolane-4-methanol
CID 20370
1,3-Dioxolane-4-methanol, 2,2-diisobutyl-
CID 21903
1,4-Dioxaspiro(4.4)nonane-2-methanol, 6-methyl-
CID 45283
1,3-Dioxolane-4-methanol, 2-methyl-2-s-pentyl-
CID 45919
2-(2-Methyl-1,3-dioxolan-2-yl)hexan-1-ol
CID 110694
2-(Heptan-3-yl)-4-methyl-1,3-dioxolane
CID 3737523
2-Cyclohexyl-2-methyl-1,3-dioxolane-4-methanol
CID 21900
1,3-Dioxolane-4-methanol, 2-ethyl-2-isopentyl-
CID 21904
1,3-Dioxolane-4-methanol, 2-methyl-2-(methylpentyl)-
CID 45947

Frequently Asked Questions

What is the IUPAC name of (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol (CID 21905) is (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol is CCCCC(CC)C1OCC(CO)O1.
What is the InChIKey of (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol?
The InChIKey is VNMRSUHVTDURNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-5-6-9(4-2)11-13-8-10(7-12)14-11/h9-12H,3-8H2,1-2H3.
What are the key properties of (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol?
(2-heptan-3-yl-1,3-dioxolan-4-yl)methanol has a molecular weight of 202.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 21905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).