(2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol

C16H24O2 — CID 135040343

IUPAC(2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol
SMILESC=CC[C@H]1CC(=C)C[C@@H](/C=C(\C)C/C=C/CO)O1
InChIInChI=1S/C16H24O2/c1-4-7-15-11-14(3)12-16(18-15)10-13(2)8-5-6-9-17/h4-6,10,15-17H,1,3,7-9,11-12H2,2H3/b6-5+,13-10+/t15-,16+/m0/s1
InChIKeyDRUSZUJLZAURBQ-KGEZVKJZSA-N
MW248.37 g/mol
LogP3.55
Rot. Bonds6

About (2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol

(2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol (PubChem CID 135040343) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol
PubChem CID135040343
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol
SMILESC=CC[C@H]1CC(=C)C[C@@H](/C=C(\C)C/C=C/CO)O1
InChIInChI=1S/C16H24O2/c1-4-7-15-11-14(3)12-16(18-15)10-13(2)8-5-6-9-17/h4-6,10,15-17H,1,3,7-9,11-12H2,2H3/b6-5+,13-10+/t15-,16+/m0/s1
InChIKeyDRUSZUJLZAURBQ-KGEZVKJZSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Heptyl-5-methoxycyclohexa-2,5-dien-1-ol
CID 155514028
Cambridge id 6658332
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(2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol
CID 59899354
(E,2S)-4-[(2R,3R)-3-methyloxiran-2-yl]hept-3-en-2-ol
CID 10920949
(E,2S)-4-[(2S,3S)-3-methyloxiran-2-yl]hept-3-en-2-ol
CID 11137560
2-[(2S,6R)-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol
CID 11344385
(6S)-6-[(E)-3-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]prop-1-enyl]-2-hydroxy-4-methyl-5,6-dihydrooxaborinine
CID 11687690
[(2R,3R)-3-[(E)-2-methyl-3-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]prop-2-enyl]oxiran-2-yl]methanol
CID 11737155
(E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hex-5-en-2-yn-1-ol
CID 46837952
2-dec-9-enyl-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 101562362
2-[(Z)-hex-3-en-3-yl]oxane
CID 101682620

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol?
The IUPAC name of (2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol (CID 135040343) is (2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol.
What is the SMILES notation for (2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol?
The canonical SMILES for (2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol is C=CC[C@H]1CC(=C)C[C@@H](/C=C(\C)C/C=C/CO)O1.
What is the InChIKey of (2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol?
The InChIKey is DRUSZUJLZAURBQ-KGEZVKJZSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-7-15-11-14(3)12-16(18-15)10-13(2)8-5-6-9-17/h4-6,10,15-17H,1,3,7-9,11-12H2,2H3/b6-5+,13-10+/t15-,16+/m0/s1.
What are the key properties of (2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol?
(2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-5-methyl-6-[(2S,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]hexa-2,5-dien-1-ol is sourced from PubChem (CID 135040343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).