2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene

C18H38O7 — CID 174805597

IUPAC2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene
SMILESCC(C)=C(C)C(C)C.OCC(CO)(CO)COCC(CO)(CO)CO
InChIInChI=1S/C10H22O7.C8H16/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16;1-6(2)8(5)7(3)4/h11-16H,1-8H2;6H,1-5H3
InChIKeyBOLFMTGOKQPEKN-UHFFFAOYSA-N
MW366.50 g/mol
LogP-0.07
Rot. Bonds11

About 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene

2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene (PubChem CID 174805597) has the molecular formula C18H38O7 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene.

Molecular Properties

Compound Name2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene
PubChem CID174805597
Molecular FormulaC18H38O7
Molecular Weight366.50 g/mol
Exact Mass366.26
IUPAC Name2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene
SMILESCC(C)=C(C)C(C)C.OCC(CO)(CO)COCC(CO)(CO)CO
InChIInChI=1S/C10H22O7.C8H16/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16;1-6(2)8(5)7(3)4/h11-16H,1-8H2;6H,1-5H3
InChIKeyBOLFMTGOKQPEKN-UHFFFAOYSA-N
XLogP-0.07
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 5-0.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene?
The IUPAC name of 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene (CID 174805597) is 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene.
What is the SMILES notation for 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene?
The canonical SMILES for 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene is CC(C)=C(C)C(C)C.OCC(CO)(CO)COCC(CO)(CO)CO.
What is the InChIKey of 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene?
The InChIKey is BOLFMTGOKQPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7.C8H16/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16;1-6(2)8(5)7(3)4/h11-16H,1-8H2;6H,1-5H3.
What are the key properties of 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene?
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene has a molecular weight of 366.50 g/mol, XLogP of -0.07, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene is sourced from PubChem (CID 174805597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).