16-methylheptadecane-1,15,16-triol

C18H38O3 — CID 90439756

IUPAC16-methylheptadecane-1,15,16-triol
SMILESCC(C)(O)C(O)CCCCCCCCCCCCCCO
InChIInChI=1S/C18H38O3/c1-18(2,21)17(20)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19/h17,19-21H,3-16H2,1-2H3
InChIKeyYJNMEHCVWCTTJM-UHFFFAOYSA-N
MW302.50 g/mol
LogP4.18
Rot. Bonds15

About 16-methylheptadecane-1,15,16-triol

16-methylheptadecane-1,15,16-triol (PubChem CID 90439756) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is 16-methylheptadecane-1,15,16-triol.

Molecular Properties

Compound Name16-methylheptadecane-1,15,16-triol
PubChem CID90439756
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name16-methylheptadecane-1,15,16-triol
SMILESCC(C)(O)C(O)CCCCCCCCCCCCCCO
InChIInChI=1S/C18H38O3/c1-18(2,21)17(20)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19/h17,19-21H,3-16H2,1-2H3
InChIKeyYJNMEHCVWCTTJM-UHFFFAOYSA-N
XLogP4.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

13-methyltetradecane-1,12,13-triol
CID 90439785
2-methylheptadecane-2,3-diol
CID 90439823
2-methyldodecane-2,3-diol
CID 90439854
15-methylhexadecane-1,12,15-triol
CID 90439897
2,2,11,11-tetramethyldodecane-3,10-diol
CID 86054845
6,6,6-tris(sulfanyl)hexane-1,5-diol
CID 89422514
(3R)-2,9-dimethyldec-8-ene-2,3-diol
CID 134855668
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
(10S)-undecane-1,10-diol
CID 129382222
10-methylundecane-1,6,8,10-tetrol
CID 90955825
heptacosane-1,10,27-triol
CID 56980866

Frequently Asked Questions

What is the IUPAC name of 16-methylheptadecane-1,15,16-triol?
The IUPAC name of 16-methylheptadecane-1,15,16-triol (CID 90439756) is 16-methylheptadecane-1,15,16-triol.
What is the SMILES notation for 16-methylheptadecane-1,15,16-triol?
The canonical SMILES for 16-methylheptadecane-1,15,16-triol is CC(C)(O)C(O)CCCCCCCCCCCCCCO.
What is the InChIKey of 16-methylheptadecane-1,15,16-triol?
The InChIKey is YJNMEHCVWCTTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3/c1-18(2,21)17(20)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19/h17,19-21H,3-16H2,1-2H3.
What are the key properties of 16-methylheptadecane-1,15,16-triol?
16-methylheptadecane-1,15,16-triol has a molecular weight of 302.50 g/mol, XLogP of 4.18, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methylheptadecane-1,15,16-triol is sourced from PubChem (CID 90439756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).