(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal

C20H38O — CID 54256190

IUPAC(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
SMILESCC(=CC=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/t18-,19-/m1/s1
InChIKeyRAFZYSUICBQABU-RTBURBONSA-N
MW294.52 g/mol
LogP6.57
Rot. Bonds13

About (7R,11R)-3,7,11,15-tetramethylhexadec-2-enal

(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal (PubChem CID 54256190) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is (7R,11R)-3,7,11,15-tetramethylhexadec-2-enal.

Molecular Properties

Compound Name(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
PubChem CID54256190
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
SMILESCC(=CC=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/t18-,19-/m1/s1
InChIKeyRAFZYSUICBQABU-RTBURBONSA-N
XLogP6.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
3,8-dimethylnon-2-enal
CID 91613839
6,10,14-trimethylpentadeca-1,3,5-triene
CID 154255847
(E)-2,6,10-trimethylundec-1-ene-1-thiol
CID 25254254
(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
CID 25254401
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
CID 174796441
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
CID 175222711
germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174380036
indigane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174327196
CID 170924185
CID 170924185

Frequently Asked Questions

What is the IUPAC name of (7R,11R)-3,7,11,15-tetramethylhexadec-2-enal?
The IUPAC name of (7R,11R)-3,7,11,15-tetramethylhexadec-2-enal (CID 54256190) is (7R,11R)-3,7,11,15-tetramethylhexadec-2-enal.
What is the SMILES notation for (7R,11R)-3,7,11,15-tetramethylhexadec-2-enal?
The canonical SMILES for (7R,11R)-3,7,11,15-tetramethylhexadec-2-enal is CC(=CC=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (7R,11R)-3,7,11,15-tetramethylhexadec-2-enal?
The InChIKey is RAFZYSUICBQABU-RTBURBONSA-N. The full InChI is InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/t18-,19-/m1/s1.
What are the key properties of (7R,11R)-3,7,11,15-tetramethylhexadec-2-enal?
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal has a molecular weight of 294.52 g/mol, XLogP of 6.57, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11R)-3,7,11,15-tetramethylhexadec-2-enal is sourced from PubChem (CID 54256190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).