ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol

C11H24O3 — CID 145311557

IUPACethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol
SMILESCC.CCCC1OCCC(CCO)O1
InChIInChI=1S/C9H18O3.C2H6/c1-2-3-9-11-7-5-8(12-9)4-6-10;1-2/h8-10H,2-7H2,1H3;1-2H3
InChIKeyHQGCYXKTXSCKOO-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.33
Rot. Bonds4

About ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol

ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol (PubChem CID 145311557) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol.

Molecular Properties

Compound Nameethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol
PubChem CID145311557
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Nameethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol
SMILESCC.CCCC1OCCC(CCO)O1
InChIInChI=1S/C9H18O3.C2H6/c1-2-3-9-11-7-5-8(12-9)4-6-10;1-2/h8-10H,2-7H2,1H3;1-2H3
InChIKeyHQGCYXKTXSCKOO-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[7-[4-(hydroxymethyl)-1,3-dioxan-2-yl]heptyl]-1,3-dioxan-4-yl]methanol
CID 11302020
3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 117168285
2-(8-ethyloxocan-2-yl)ethanol
CID 14445090
2-(5,6-dimethyloxan-2-yl)ethanol
CID 59772049
2-(2-hydroxyethyl)oxan-4-ol
CID 123437591
ethanol;2-pentadecyloxetane
CID 68938646
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
(E,6S)-3,6,7-trimethyl-8-[(4R)-2-propyl-1,3-dioxolan-4-yl]oct-2-en-1-ol
CID 139308680
2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol
CID 130978706
6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol
CID 23042923
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
2-[(2R,3R)-3-methyloxolan-2-yl]ethanol
CID 134950887

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol?
The IUPAC name of ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol (CID 145311557) is ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol.
What is the SMILES notation for ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol?
The canonical SMILES for ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol is CC.CCCC1OCCC(CCO)O1.
What is the InChIKey of ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol?
The InChIKey is HQGCYXKTXSCKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.C2H6/c1-2-3-9-11-7-5-8(12-9)4-6-10;1-2/h8-10H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol?
ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol has a molecular weight of 204.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-propyl-1,3-dioxan-4-yl)ethanol is sourced from PubChem (CID 145311557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).