6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol

C11H22O3 — CID 19391800

IUPAC6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
SMILESCC1(C)OCC(CCCCCCO)O1
InChIInChI=1S/C11H22O3/c1-11(2)13-9-10(14-11)7-5-3-4-6-8-12/h10,12H,3-9H2,1-2H3
InChIKeyKDRCNBWIQROQAZ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.08
Rot. Bonds6

About 6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol

6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol (PubChem CID 19391800) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
PubChem CID19391800
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
SMILESCC1(C)OCC(CCCCCCO)O1
InChIInChI=1S/C11H22O3/c1-11(2)13-9-10(14-11)7-5-3-4-6-8-12/h10,12H,3-9H2,1-2H3
InChIKeyKDRCNBWIQROQAZ-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

Heptanal 1,2-glyceryl acetal
CID 15571
Nonanal propyleneglycol acetal
CID 95572
Octanal propyleneglycol acetal
CID 560109
Decanal propylene glycol acetal
CID 95397
2-Decyl-4-methyl-1,3-dioxolane
CID 229153
2-Nonanone propyleneglycol acetal
CID 246089
2-Methyl-2-pentyl-1,3-dioxolane-4-methanol
CID 20370
1,3-Dioxolane, 2-hexyl-2,4,5-trimethyl-
CID 21532
1,3-Dioxolane-4-methanol, 2-heptyl-2-methyl-
CID 21867
(2-Hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 21868
(2-Butyl-2-ethyl-1,3-dioxolan-4-yl)methanol
CID 21897
1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-
CID 21899

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol?
The IUPAC name of 6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol (CID 19391800) is 6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol.
What is the SMILES notation for 6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol?
The canonical SMILES for 6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol is CC1(C)OCC(CCCCCCO)O1.
What is the InChIKey of 6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol?
The InChIKey is KDRCNBWIQROQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-11(2)13-9-10(14-11)7-5-3-4-6-8-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol?
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol 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 6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol is sourced from PubChem (CID 19391800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).