(3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol

C12H24O3 — CID 11298893

IUPAC(3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol
SMILESC=CC[C@H](O)C[C@H](O)[C@H](C)[C@H](O)C(C)C
InChIInChI=1S/C12H24O3/c1-5-6-10(13)7-11(14)9(4)12(15)8(2)3/h5,8-15H,1,6-7H2,2-4H3/t9-,10-,11-,12+/m0/s1
InChIKeyPFSRWEONLNOQQM-FIQHERPVSA-N
MW216.32 g/mol
LogP1.33
Rot. Bonds7

About (3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol

(3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol (PubChem CID 11298893) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol.

Molecular Properties

Compound Name(3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol
PubChem CID11298893
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol
SMILESC=CC[C@H](O)C[C@H](O)[C@H](C)[C@H](O)C(C)C
InChIInChI=1S/C12H24O3/c1-5-6-10(13)7-11(14)9(4)12(15)8(2)3/h5,8-15H,1,6-7H2,2-4H3/t9-,10-,11-,12+/m0/s1
InChIKeyPFSRWEONLNOQQM-FIQHERPVSA-N
XLogP1.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.33
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 (3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol?
The IUPAC name of (3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol (CID 11298893) is (3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol.
What is the SMILES notation for (3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol?
The canonical SMILES for (3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol is C=CC[C@H](O)C[C@H](O)[C@H](C)[C@H](O)C(C)C.
What is the InChIKey of (3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol?
The InChIKey is PFSRWEONLNOQQM-FIQHERPVSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-6-10(13)7-11(14)9(4)12(15)8(2)3/h5,8-15H,1,6-7H2,2-4H3/t9-,10-,11-,12+/m0/s1.
What are the key properties of (3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol?
(3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol has a molecular weight of 216.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,7S)-2,4-dimethyldec-9-ene-3,5,7-triol is sourced from PubChem (CID 11298893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).