6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial

C19H36O4 — CID 59659598

IUPAC6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial
SMILESCC(C)(C=O)CCCC(O)CCCC(O)CCCC(C)(C)C=O
InChIInChI=1S/C19H36O4/c1-18(2,14-20)12-6-10-16(22)8-5-9-17(23)11-7-13-19(3,4)15-21/h14-17,22-23H,5-13H2,1-4H3
InChIKeyHQGPNFMJFONBBN-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.67
Rot. Bonds14

About 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial

6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial (PubChem CID 59659598) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial.

Molecular Properties

Compound Name6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial
PubChem CID59659598
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial
SMILESCC(C)(C=O)CCCC(O)CCCC(O)CCCC(C)(C)C=O
InChIInChI=1S/C19H36O4/c1-18(2,14-20)12-6-10-16(22)8-5-9-17(23)11-7-13-19(3,4)15-21/h14-17,22-23H,5-13H2,1-4H3
InChIKeyHQGPNFMJFONBBN-UHFFFAOYSA-N
XLogP3.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-12-methoxy-2,2,12-trimethyltridecanal
CID 58097527
2,2-dimethylpentanedial
CID 15009267
6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal
CID 88955208
2,2-dimethyloctanedial
CID 101002549
2,2-dimethylhexadecanal;2-hydroxyacetaldehyde
CID 121365643
6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid
CID 59659514
2,2-dimethylhept-6-ynal
CID 122240233
5-hydroxy-5-[4-(1-hydroxy-4,4-dimethylpentyl)phenyl]-2,2-dimethylpentanal
CID 88581179
2,2-dimethyl-5-trimethoxysilylpentanal
CID 86093954
2,2,5,7-tetramethyloctanal
CID 90450835
4-amino-2,2-dimethylbutanal
CID 54099515
4-fluoro-2,2-dimethylbutanal
CID 130704248

Frequently Asked Questions

What is the IUPAC name of 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial?
The IUPAC name of 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial (CID 59659598) is 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial.
What is the SMILES notation for 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial?
The canonical SMILES for 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial is CC(C)(C=O)CCCC(O)CCCC(O)CCCC(C)(C)C=O.
What is the InChIKey of 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial?
The InChIKey is HQGPNFMJFONBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-18(2,14-20)12-6-10-16(22)8-5-9-17(23)11-7-13-19(3,4)15-21/h14-17,22-23H,5-13H2,1-4H3.
What are the key properties of 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial?
6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial has a molecular weight of 328.49 g/mol, XLogP of 3.67, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial is sourced from PubChem (CID 59659598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).