(5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol

C18H34O2 — CID 10107840

IUPAC(5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol
SMILESC=C[C@H](CC[C@H](C=C)[C@H](O)CCCC)[C@@H](O)CCCC
InChIInChI=1S/C18H34O2/c1-5-9-11-17(19)15(7-3)13-14-16(8-4)18(20)12-10-6-2/h7-8,15-20H,3-6,9-14H2,1-2H3/t15-,16+,17+,18-
InChIKeyQLQJMSOPNJDGBU-FZDBZEDMSA-N
MW282.47 g/mol
LogP4.47
Rot. Bonds13

About (5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol

(5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol (PubChem CID 10107840) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol.

Molecular Properties

Compound Name(5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol
PubChem CID10107840
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol
SMILESC=C[C@H](CC[C@H](C=C)[C@H](O)CCCC)[C@@H](O)CCCC
InChIInChI=1S/C18H34O2/c1-5-9-11-17(19)15(7-3)13-14-16(8-4)18(20)12-10-6-2/h7-8,15-20H,3-6,9-14H2,1-2H3/t15-,16+,17+,18-
InChIKeyQLQJMSOPNJDGBU-FZDBZEDMSA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10643653
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CID 131753009
3-Methylundec-1-en-4-ol
CID 12794264
(2S,7R,11R)-7,11,15-trimethyl-3-methylidenehexadecane-1,2-diol
CID 124413846
(3R,4R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene-3,4-diol
CID 162957304
(3R,4R,7S,11R)-3,7,11,15-tetramethylhexadec-1-ene-3,4-diol
CID 162957305
(2S,7S,11S)-7,11,15-trimethyl-3-methylidenehexadecane-1,2-diol
CID 163002811
(E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol
CID 163038984
7,11,15-Trimethyl-3-methylidenehexadecane-1,2-diol
CID 10638889
(3S,4R)-3-methyltridec-1-en-4-ol
CID 11031172
(3R,4R)-3-methyltridec-1-en-4-ol
CID 13096085

Frequently Asked Questions

What is the IUPAC name of (5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol?
The IUPAC name of (5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol (CID 10107840) is (5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol.
What is the SMILES notation for (5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol?
The canonical SMILES for (5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol is C=C[C@H](CC[C@H](C=C)[C@H](O)CCCC)[C@@H](O)CCCC.
What is the InChIKey of (5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol?
The InChIKey is QLQJMSOPNJDGBU-FZDBZEDMSA-N. The full InChI is InChI=1S/C18H34O2/c1-5-9-11-17(19)15(7-3)13-14-16(8-4)18(20)12-10-6-2/h7-8,15-20H,3-6,9-14H2,1-2H3/t15-,16+,17+,18-.
What are the key properties of (5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol?
(5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol has a molecular weight of 282.47 g/mol, XLogP of 4.47, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol is sourced from PubChem (CID 10107840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).