tritriacontane-15,15,16,16-tetrol

C33H68O4 — CID 19863089

IUPACtritriacontane-15,15,16,16-tetrol
SMILESCCCCCCCCCCCCCCCCCC(O)(O)C(O)(O)CCCCCCCCCCCCCC
InChIInChI=1S/C33H68O4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33(36,37)32(34,35)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34-37H,3-31H2,1-2H3
InChIKeyLMNMPBBRUWVRPL-UHFFFAOYSA-N
MW528.90 g/mol
LogP9.70
Rot. Bonds30

About tritriacontane-15,15,16,16-tetrol

tritriacontane-15,15,16,16-tetrol (PubChem CID 19863089) has the molecular formula C33H68O4 and a molecular weight of 528.90 g/mol. Its IUPAC name is tritriacontane-15,15,16,16-tetrol.

Molecular Properties

Compound Nametritriacontane-15,15,16,16-tetrol
PubChem CID19863089
Molecular FormulaC33H68O4
Molecular Weight528.90 g/mol
Exact Mass528.51
IUPAC Nametritriacontane-15,15,16,16-tetrol
SMILESCCCCCCCCCCCCCCCCCC(O)(O)C(O)(O)CCCCCCCCCCCCCC
InChIInChI=1S/C33H68O4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33(36,37)32(34,35)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34-37H,3-31H2,1-2H3
InChIKeyLMNMPBBRUWVRPL-UHFFFAOYSA-N
XLogP9.70
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.90
LogP ≤ 59.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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CID 173367019
decane-1,1,1,2,2,3,3,4,4-nonol
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2,2,3-trimethylheptadecane-3,4,4-triol
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7-pentylpentadecan-7-ol
CID 12913436
triacontane-1,1,1-triol
CID 87376487
7-hexylhexadecan-7-ol
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1,1,1-trichlorononane
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Frequently Asked Questions

What is the IUPAC name of tritriacontane-15,15,16,16-tetrol?
The IUPAC name of tritriacontane-15,15,16,16-tetrol (CID 19863089) is tritriacontane-15,15,16,16-tetrol.
What is the SMILES notation for tritriacontane-15,15,16,16-tetrol?
The canonical SMILES for tritriacontane-15,15,16,16-tetrol is CCCCCCCCCCCCCCCCCC(O)(O)C(O)(O)CCCCCCCCCCCCCC.
What is the InChIKey of tritriacontane-15,15,16,16-tetrol?
The InChIKey is LMNMPBBRUWVRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68O4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33(36,37)32(34,35)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34-37H,3-31H2,1-2H3.
What are the key properties of tritriacontane-15,15,16,16-tetrol?
tritriacontane-15,15,16,16-tetrol has a molecular weight of 528.90 g/mol, XLogP of 9.70, 30 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tritriacontane-15,15,16,16-tetrol is sourced from PubChem (CID 19863089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).