2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

C16H32O9 — CID 66952472

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCC1(C)OCC(COC(CO)OCCOCCOCCOCCO)O1
InChIInChI=1S/C16H32O9/c1-16(2)24-13-14(25-16)12-23-15(11-18)22-10-9-21-8-7-20-6-5-19-4-3-17/h14-15,17-18H,3-13H2,1-2H3
InChIKeyFAXDJWJAVNAMFA-UHFFFAOYSA-N
MW368.42 g/mol
LogP-0.47
Rot. Bonds16

About 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 66952472) has the molecular formula C16H32O9 and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID66952472
Molecular FormulaC16H32O9
Molecular Weight368.42 g/mol
Exact Mass368.20
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCC1(C)OCC(COC(CO)OCCOCCOCCOCCO)O1
InChIInChI=1S/C16H32O9/c1-16(2)24-13-14(25-16)12-23-15(11-18)22-10-9-21-8-7-20-6-5-19-4-3-17/h14-15,17-18H,3-13H2,1-2H3
InChIKeyFAXDJWJAVNAMFA-UHFFFAOYSA-N
XLogP-0.47
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
CID 59660808
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]propan-1-ol
CID 56946744
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate
CID 163831813
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxymethanethioic S-acid
CID 145333613
4-(2-ethenoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 102197392
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 160799627
(4S)-4-(4-bromobutoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 118624680
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
2,2-dimethyl-4-(methylsulfanyloxymethyl)-1,3-dioxolane
CID 126562588

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 66952472) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is CC1(C)OCC(COC(CO)OCCOCCOCCOCCO)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is FAXDJWJAVNAMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O9/c1-16(2)24-13-14(25-16)12-23-15(11-18)22-10-9-21-8-7-20-6-5-19-4-3-17/h14-15,17-18H,3-13H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 368.42 g/mol, XLogP of -0.47, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 66952472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).