(E,7R,11R)-heptadec-8-ene-7,11-diol

C17H34O2 — CID 101453637

IUPAC(E,7R,11R)-heptadec-8-ene-7,11-diol
SMILESCCCCCC[C@@H](O)C/C=C/[C@H](O)CCCCCC
InChIInChI=1S/C17H34O2/c1-3-5-7-9-12-16(18)14-11-15-17(19)13-10-8-6-4-2/h11,14,16-19H,3-10,12-13,15H2,1-2H3/b14-11+/t16-,17-/m1/s1
InChIKeyDVYWITMEKNFYMR-OMCKNOPTSA-N
MW270.46 g/mol
LogP4.60
Rot. Bonds13

About (E,7R,11R)-heptadec-8-ene-7,11-diol

(E,7R,11R)-heptadec-8-ene-7,11-diol (PubChem CID 101453637) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is (E,7R,11R)-heptadec-8-ene-7,11-diol.

Molecular Properties

Compound Name(E,7R,11R)-heptadec-8-ene-7,11-diol
PubChem CID101453637
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name(E,7R,11R)-heptadec-8-ene-7,11-diol
SMILESCCCCCC[C@@H](O)C/C=C/[C@H](O)CCCCCC
InChIInChI=1S/C17H34O2/c1-3-5-7-9-12-16(18)14-11-15-17(19)13-10-8-6-4-2/h11,14,16-19H,3-10,12-13,15H2,1-2H3/b14-11+/t16-,17-/m1/s1
InChIKeyDVYWITMEKNFYMR-OMCKNOPTSA-N
XLogP4.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11564658
(E,5S)-tridec-2-en-5-ol
CID 87621618
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CID 163029856
octadec-3-en-5-ol
CID 144649733
(E)-octadec-1-ene-1,4-diol
CID 87483971
henicos-7-en-6-ol
CID 91409967
(E,10S)-henicos-7-en-10-ol
CID 14607531
(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
(E,4R)-non-2-ene-1,4-diol
CID 11030095
(E)-non-2-ene-1,4-diol
CID 14106146
(4S)-1-trimethylsilyldec-1-en-4-ol
CID 71378024

Frequently Asked Questions

What is the IUPAC name of (E,7R,11R)-heptadec-8-ene-7,11-diol?
The IUPAC name of (E,7R,11R)-heptadec-8-ene-7,11-diol (CID 101453637) is (E,7R,11R)-heptadec-8-ene-7,11-diol.
What is the SMILES notation for (E,7R,11R)-heptadec-8-ene-7,11-diol?
The canonical SMILES for (E,7R,11R)-heptadec-8-ene-7,11-diol is CCCCCC[C@@H](O)C/C=C/[C@H](O)CCCCCC.
What is the InChIKey of (E,7R,11R)-heptadec-8-ene-7,11-diol?
The InChIKey is DVYWITMEKNFYMR-OMCKNOPTSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-5-7-9-12-16(18)14-11-15-17(19)13-10-8-6-4-2/h11,14,16-19H,3-10,12-13,15H2,1-2H3/b14-11+/t16-,17-/m1/s1.
What are the key properties of (E,7R,11R)-heptadec-8-ene-7,11-diol?
(E,7R,11R)-heptadec-8-ene-7,11-diol has a molecular weight of 270.46 g/mol, XLogP of 4.60, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R,11R)-heptadec-8-ene-7,11-diol is sourced from PubChem (CID 101453637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).