5,5-diethyldecane-3,3-diol

C14H30O2 — CID 141318506

IUPAC5,5-diethyldecane-3,3-diol
SMILESCCCCCC(CC)(CC)CC(O)(O)CC
InChIInChI=1S/C14H30O2/c1-5-9-10-11-13(6-2,7-3)12-14(15,16)8-4/h15-16H,5-12H2,1-4H3
InChIKeyFVUIZKRFHWRBBH-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.85
Rot. Bonds9

About 5,5-diethyldecane-3,3-diol

5,5-diethyldecane-3,3-diol (PubChem CID 141318506) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 5,5-diethyldecane-3,3-diol.

Molecular Properties

Compound Name5,5-diethyldecane-3,3-diol
PubChem CID141318506
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name5,5-diethyldecane-3,3-diol
SMILESCCCCCC(CC)(CC)CC(O)(O)CC
InChIInChI=1S/C14H30O2/c1-5-9-10-11-13(6-2,7-3)12-14(15,16)8-4/h15-16H,5-12H2,1-4H3
InChIKeyFVUIZKRFHWRBBH-UHFFFAOYSA-N
XLogP3.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

octane-3,3-diol
CID 157318438
nonane-3,3-diol
CID 22472104
CID 162309133
CID 162309133
7-butyl-7-ethyltetradecane
CID 174665936
6,6-dipentylundecane
CID 19690398
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
docosane-10,10-diol
CID 20528880
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyldecane-3,3-diol?
The IUPAC name of 5,5-diethyldecane-3,3-diol (CID 141318506) is 5,5-diethyldecane-3,3-diol.
What is the SMILES notation for 5,5-diethyldecane-3,3-diol?
The canonical SMILES for 5,5-diethyldecane-3,3-diol is CCCCCC(CC)(CC)CC(O)(O)CC.
What is the InChIKey of 5,5-diethyldecane-3,3-diol?
The InChIKey is FVUIZKRFHWRBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-5-9-10-11-13(6-2,7-3)12-14(15,16)8-4/h15-16H,5-12H2,1-4H3.
What are the key properties of 5,5-diethyldecane-3,3-diol?
5,5-diethyldecane-3,3-diol has a molecular weight of 230.39 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyldecane-3,3-diol is sourced from PubChem (CID 141318506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).