(E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol

C20H38O3 — CID 175678465

IUPAC(E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol
SMILESC[C@@H](C[C@H](C)COC1CCCCO1)C[C@H](C)C[C@H](C)/C=C/CO
InChIInChI=1S/C20H38O3/c1-16(8-7-10-21)12-17(2)13-18(3)14-19(4)15-23-20-9-5-6-11-22-20/h7-8,16-21H,5-6,9-15H2,1-4H3/b8-7+/t16-,17-,18-,19+,20?/m1/s1
InChIKeyODKCAJSDCARNGO-HQEUBKMPSA-N
MW326.52 g/mol
LogP4.79
Rot. Bonds11

About (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol

(E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol (PubChem CID 175678465) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol.

Molecular Properties

Compound Name(E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol
PubChem CID175678465
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name(E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol
SMILESC[C@@H](C[C@H](C)COC1CCCCO1)C[C@H](C)C[C@H](C)/C=C/CO
InChIInChI=1S/C20H38O3/c1-16(8-7-10-21)12-17(2)13-18(3)14-19(4)15-23-20-9-5-6-11-22-20/h7-8,16-21H,5-6,9-15H2,1-4H3/b8-7+/t16-,17-,18-,19+,20?/m1/s1
InChIKeyODKCAJSDCARNGO-HQEUBKMPSA-N
XLogP4.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol with MolForge

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Related Compounds

2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane
CID 11822465
2-[(4R)-4-methylundec-10-enoxy]oxane
CID 56653144
(E)-11-(oxan-2-yloxy)undec-2-en-1-ol
CID 14077179
2-[(10R)-10-methylheptadec-16-enoxy]oxane
CID 135072499
(6E,8E,10R)-1,1-diethoxy-10-methylhexadeca-6,8-dien-5-ol
CID 166444571
2-[(Z)-11-methyltridec-5-enoxy]oxane
CID 10913491
(Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol
CID 11186054
2-[(E)-but-1-enyl]-11-(oxan-2-yloxy)undecan-1-ol
CID 11404638
(E)-14-(oxan-2-yloxy)tetradec-4-en-3-ol
CID 11461122
2-[(10S)-10-methylheptadec-16-enoxy]oxane
CID 56653146
(6E)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6-dien-3-ol
CID 21242293
7-[(1S,2S)-2-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]heptan-1-ol
CID 22808749

Frequently Asked Questions

What is the IUPAC name of (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol?
The IUPAC name of (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol (CID 175678465) is (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol.
What is the SMILES notation for (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol?
The canonical SMILES for (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol is C[C@@H](C[C@H](C)COC1CCCCO1)C[C@H](C)C[C@H](C)/C=C/CO.
What is the InChIKey of (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol?
The InChIKey is ODKCAJSDCARNGO-HQEUBKMPSA-N. The full InChI is InChI=1S/C20H38O3/c1-16(8-7-10-21)12-17(2)13-18(3)14-19(4)15-23-20-9-5-6-11-22-20/h7-8,16-21H,5-6,9-15H2,1-4H3/b8-7+/t16-,17-,18-,19+,20?/m1/s1.
What are the key properties of (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol?
(E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol has a molecular weight of 326.52 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol is sourced from PubChem (CID 175678465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).