(2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol

C12H24O3 — CID 21867

IUPAC(2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCCCCC1(C)OCC(CO)O1
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-12(2)14-10-11(9-13)15-12/h11,13H,3-10H2,1-2H3
InChIKeyXNARJYMHDDBRQP-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.47
Rot. Bonds7

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

(2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol (PubChem CID 21867) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol
PubChem CID21867
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCCCCC1(C)OCC(CO)O1
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-12(2)14-10-11(9-13)15-12/h11,13H,3-10H2,1-2H3
InChIKeyXNARJYMHDDBRQP-UHFFFAOYSA-N
XLogP2.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Heptanal 1,2-glyceryl acetal
CID 15571
Octyl-sepharose CL-4B
CID 112041
(1,4-Dioxaspiro(4.5)decan-2-yl)methanol
CID 20128
(2R)-3-octoxypropane-1,2-diol
CID 446473
Octyl Alpha-D-Arabinofuranoside
CID 49795070
Glyceryl Capryl Ether
CID 139152
2-Nonanone propyleneglycol acetal
CID 246089
(2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol
CID 16746177
(+)-(2R,5S,7R,9R,10S)-7-(2-Hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol
CID 9549809
1-Octylglycerol
CID 15956913
2-Methyl-2-pentyl-1,3-dioxolane-4-methanol
CID 20370
2-Methyl-2-propyl-1,3-dioxolane-4-methanol
CID 20372

Frequently Asked Questions

What is the IUPAC name of (2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol (CID 21867) is (2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol is CCCCCCCC1(C)OCC(CO)O1.
What is the InChIKey of (2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is XNARJYMHDDBRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-4-5-6-7-8-12(2)14-10-11(9-13)15-12/h11,13H,3-10H2,1-2H3.
What are the key properties of (2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol?
(2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 216.32 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 21867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).