9-ethylheptadecan-9-ol

C19H40O — CID 86166082

IUPAC9-ethylheptadecan-9-ol
SMILESCCCCCCCCC(O)(CC)CCCCCCCC
InChIInChI=1S/C19H40O/c1-4-7-9-11-13-15-17-19(20,6-3)18-16-14-12-10-8-5-2/h20H,4-18H2,1-3H3
InChIKeyVFWNSYFSYBKCIG-UHFFFAOYSA-N
MW284.53 g/mol
LogP6.63
Rot. Bonds15

About 9-ethylheptadecan-9-ol

9-ethylheptadecan-9-ol (PubChem CID 86166082) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is 9-ethylheptadecan-9-ol.

Molecular Properties

Compound Name9-ethylheptadecan-9-ol
PubChem CID86166082
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name9-ethylheptadecan-9-ol
SMILESCCCCCCCCC(O)(CC)CCCCCCCC
InChIInChI=1S/C19H40O/c1-4-7-9-11-13-15-17-19(20,6-3)18-16-14-12-10-8-5-2/h20H,4-18H2,1-3H3
InChIKeyVFWNSYFSYBKCIG-UHFFFAOYSA-N
XLogP6.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
2-ethyltridecane-1,2-diol
CID 88923996
2-propyloctane-1,2-diol
CID 88923937
5-ethylnonane-1,5-diol
CID 87121663
2-butyltetradecane-1,2-diol
CID 88924076
4-decyltetradecane-1,4-diol
CID 170650453
17-(aminomethyl)tritriacontan-17-ol
CID 87248679
nonane-3,3-diol
CID 22472104
3-butyldecane-1,3-diol
CID 88924042
3-propyloctane-1,3-diol
CID 88923981

Frequently Asked Questions

What is the IUPAC name of 9-ethylheptadecan-9-ol?
The IUPAC name of 9-ethylheptadecan-9-ol (CID 86166082) is 9-ethylheptadecan-9-ol.
What is the SMILES notation for 9-ethylheptadecan-9-ol?
The canonical SMILES for 9-ethylheptadecan-9-ol is CCCCCCCCC(O)(CC)CCCCCCCC.
What is the InChIKey of 9-ethylheptadecan-9-ol?
The InChIKey is VFWNSYFSYBKCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O/c1-4-7-9-11-13-15-17-19(20,6-3)18-16-14-12-10-8-5-2/h20H,4-18H2,1-3H3.
What are the key properties of 9-ethylheptadecan-9-ol?
9-ethylheptadecan-9-ol has a molecular weight of 284.53 g/mol, XLogP of 6.63, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylheptadecan-9-ol is sourced from PubChem (CID 86166082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).