(3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol

C13H26O3 — CID 11322180

IUPAC(3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol
SMILESC=C[C@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@H](O)C(C)C
InChIInChI=1S/C13H26O3/c1-6-9(4)11(14)7-12(15)10(5)13(16)8(2)3/h6,8-16H,1,7H2,2-5H3/t9-,10-,11+,12-,13+/m0/s1
InChIKeyJYSVDUGKFHFNKK-IEECTRCBSA-N
MW230.35 g/mol
LogP1.57
Rot. Bonds7

About (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol

(3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol (PubChem CID 11322180) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol.

Molecular Properties

Compound Name(3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol
PubChem CID11322180
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name(3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol
SMILESC=C[C@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@H](O)C(C)C
InChIInChI=1S/C13H26O3/c1-6-9(4)11(14)7-12(15)10(5)13(16)8(2)3/h6,8-16H,1,7H2,2-5H3/t9-,10-,11+,12-,13+/m0/s1
InChIKeyJYSVDUGKFHFNKK-IEECTRCBSA-N
XLogP1.57
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol with MolForge

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Related Compounds

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3-Methylundec-1-en-4-ol
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(3S,4R)-3-methyltridec-1-en-4-ol
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(3R,4R)-3-methyltridec-1-en-4-ol
CID 13096085
(3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol
CID 134969182
2,4,6-Trimethyl-11-dodecen-1-ol
CID 543845
3-Methylnon-1-en-4-ol
CID 3742826
1-Cyclohexyl-2-methylbut-3-en-1-ol
CID 11275241
(4R)-8-methylnon-1-en-4-ol
CID 11672703
7-Octene-1,5-diol, 6,6-dimethyl-
CID 12078071
(3R,4R)-3-methylnon-1-en-4-ol
CID 12703980

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol?
The IUPAC name of (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol (CID 11322180) is (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol.
What is the SMILES notation for (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol?
The canonical SMILES for (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol is C=C[C@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@H](O)C(C)C.
What is the InChIKey of (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol?
The InChIKey is JYSVDUGKFHFNKK-IEECTRCBSA-N. The full InChI is InChI=1S/C13H26O3/c1-6-9(4)11(14)7-12(15)10(5)13(16)8(2)3/h6,8-16H,1,7H2,2-5H3/t9-,10-,11+,12-,13+/m0/s1.
What are the key properties of (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol?
(3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol has a molecular weight of 230.35 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,7R,8S)-2,4,8-trimethyldec-9-ene-3,5,7-triol is sourced from PubChem (CID 11322180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).