(2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol

C16H26O2 — CID 22848924

IUPAC(2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol
SMILESCCC/C=C/C=C/C=C(\C)[C@@H]1OCC(C)C[C@H]1O
InChIInChI=1S/C16H26O2/c1-4-5-6-7-8-9-10-14(3)16-15(17)11-13(2)12-18-16/h6-10,13,15-17H,4-5,11-12H2,1-3H3/b7-6+,9-8+,14-10+/t13?,15-,16+/m1/s1
InChIKeySODFVLMJIKVYJO-LYCKBVCQSA-N
MW250.38 g/mol
LogP3.63
Rot. Bonds5

About (2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol

(2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol (PubChem CID 22848924) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol
PubChem CID22848924
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol
SMILESCCC/C=C/C=C/C=C(\C)[C@@H]1OCC(C)C[C@H]1O
InChIInChI=1S/C16H26O2/c1-4-5-6-7-8-9-10-14(3)16-15(17)11-13(2)12-18-16/h6-10,13,15-17H,4-5,11-12H2,1-3H3/b7-6+,9-8+,14-10+/t13?,15-,16+/m1/s1
InChIKeySODFVLMJIKVYJO-LYCKBVCQSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol
CID 163007353
(2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol
CID 163007351
(2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol
CID 162914242
2-methyldeca-2,4,6-trienoic acid
CID 54490128
(3E)-nona-3,5-dien-2-one
CID 131243861
(1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 51693043
(2S,3R,5R)-2-ethenyl-5-methyloxan-3-ol
CID 22848915
2-methyloctatetraconta-2,4,6-triene
CID 165175383
3-methylnona-3,5-dien-2-one
CID 173004598
2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane
CID 87965048
4-pent-1-enylcyclohexan-1-ol
CID 54384714
2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol
CID 134382696

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol?
The IUPAC name of (2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol (CID 22848924) is (2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol.
What is the SMILES notation for (2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol?
The canonical SMILES for (2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol is CCC/C=C/C=C/C=C(\C)[C@@H]1OCC(C)C[C@H]1O.
What is the InChIKey of (2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol?
The InChIKey is SODFVLMJIKVYJO-LYCKBVCQSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-5-6-7-8-9-10-14(3)16-15(17)11-13(2)12-18-16/h6-10,13,15-17H,4-5,11-12H2,1-3H3/b7-6+,9-8+,14-10+/t13?,15-,16+/m1/s1.
What are the key properties of (2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol?
(2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol has a molecular weight of 250.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-ol is sourced from PubChem (CID 22848924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).