(3R,4R)-non-8-ene-1,3,4-triol

C9H18O3 — CID 10866828

IUPAC(3R,4R)-non-8-ene-1,3,4-triol
SMILESC=CCCC[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C9H18O3/c1-2-3-4-5-8(11)9(12)6-7-10/h2,8-12H,1,3-7H2/t8-,9-/m1/s1
InChIKeyGMAASTMKPVZLKE-RKDXNWHRSA-N
MW174.24 g/mol
LogP0.45
Rot. Bonds7

About (3R,4R)-non-8-ene-1,3,4-triol

(3R,4R)-non-8-ene-1,3,4-triol (PubChem CID 10866828) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (3R,4R)-non-8-ene-1,3,4-triol.

Molecular Properties

Compound Name(3R,4R)-non-8-ene-1,3,4-triol
PubChem CID10866828
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(3R,4R)-non-8-ene-1,3,4-triol
SMILESC=CCCC[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C9H18O3/c1-2-3-4-5-8(11)9(12)6-7-10/h2,8-12H,1,3-7H2/t8-,9-/m1/s1
InChIKeyGMAASTMKPVZLKE-RKDXNWHRSA-N
XLogP0.45
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(4R,5R)-pentadec-14-ene-1,4,5-triol
CID 11747294
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
1-fluorohex-5-en-1-ol
CID 165382533
(3E)-deca-3,9-diene-1,5-diol
CID 18629776
2-ethoxyoct-7-en-3-ol
CID 64541753
(5R,6S)-dec-1-ene-5,6-diol
CID 10511398
(5R,6R)-dec-1-ene-5,6-diol
CID 10844929
(3R,4R)-hex-5-ene-1,3,4-triol
CID 121404469
3-(2-hydroxyethyl)oct-7-en-2-one
CID 103343971
1,1-diethoxyhept-6-en-2-ol
CID 79496437
nona-1,8-dien-4-ol
CID 14385456
dec-9-ene-2,3-diol
CID 107008756

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-non-8-ene-1,3,4-triol?
The IUPAC name of (3R,4R)-non-8-ene-1,3,4-triol (CID 10866828) is (3R,4R)-non-8-ene-1,3,4-triol.
What is the SMILES notation for (3R,4R)-non-8-ene-1,3,4-triol?
The canonical SMILES for (3R,4R)-non-8-ene-1,3,4-triol is C=CCCC[C@@H](O)[C@H](O)CCO.
What is the InChIKey of (3R,4R)-non-8-ene-1,3,4-triol?
The InChIKey is GMAASTMKPVZLKE-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O3/c1-2-3-4-5-8(11)9(12)6-7-10/h2,8-12H,1,3-7H2/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-non-8-ene-1,3,4-triol?
(3R,4R)-non-8-ene-1,3,4-triol has a molecular weight of 174.24 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-non-8-ene-1,3,4-triol is sourced from PubChem (CID 10866828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).