(2R,4S)-6-methylidenedec-9-ene-1,2,4-triol

C11H20O3 — CID 10655652

IUPAC(2R,4S)-6-methylidenedec-9-ene-1,2,4-triol
SMILESC=CCCC(=C)C[C@H](O)C[C@@H](O)CO
InChIInChI=1S/C11H20O3/c1-3-4-5-9(2)6-10(13)7-11(14)8-12/h3,10-14H,1-2,4-8H2/t10-,11+/m0/s1
InChIKeyBNKWCYVQEQFNMF-WDEREUQCSA-N
MW200.28 g/mol
LogP1.00
Rot. Bonds8

About (2R,4S)-6-methylidenedec-9-ene-1,2,4-triol

(2R,4S)-6-methylidenedec-9-ene-1,2,4-triol (PubChem CID 10655652) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R,4S)-6-methylidenedec-9-ene-1,2,4-triol.

Molecular Properties

Compound Name(2R,4S)-6-methylidenedec-9-ene-1,2,4-triol
PubChem CID10655652
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2R,4S)-6-methylidenedec-9-ene-1,2,4-triol
SMILESC=CCCC(=C)C[C@H](O)C[C@@H](O)CO
InChIInChI=1S/C11H20O3/c1-3-4-5-9(2)6-10(13)7-11(14)8-12/h3,10-14H,1-2,4-8H2/t10-,11+/m0/s1
InChIKeyBNKWCYVQEQFNMF-WDEREUQCSA-N
XLogP1.00
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-6-methylidenedec-9-ene-1,2,4-triol?
The IUPAC name of (2R,4S)-6-methylidenedec-9-ene-1,2,4-triol (CID 10655652) is (2R,4S)-6-methylidenedec-9-ene-1,2,4-triol.
What is the SMILES notation for (2R,4S)-6-methylidenedec-9-ene-1,2,4-triol?
The canonical SMILES for (2R,4S)-6-methylidenedec-9-ene-1,2,4-triol is C=CCCC(=C)C[C@H](O)C[C@@H](O)CO.
What is the InChIKey of (2R,4S)-6-methylidenedec-9-ene-1,2,4-triol?
The InChIKey is BNKWCYVQEQFNMF-WDEREUQCSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-5-9(2)6-10(13)7-11(14)8-12/h3,10-14H,1-2,4-8H2/t10-,11+/m0/s1.
What are the key properties of (2R,4S)-6-methylidenedec-9-ene-1,2,4-triol?
(2R,4S)-6-methylidenedec-9-ene-1,2,4-triol has a molecular weight of 200.28 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-6-methylidenedec-9-ene-1,2,4-triol is sourced from PubChem (CID 10655652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).