2,3,7,11-tetramethyldodec-2-enal

C16H30O — CID 142762169

IUPAC2,3,7,11-tetramethyldodec-2-enal
SMILESCC(C=O)=C(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C16H30O/c1-13(2)8-6-9-14(3)10-7-11-15(4)16(5)12-17/h12-14H,6-11H2,1-5H3
InChIKeyBSGWPUYPCWOFCW-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.15
Rot. Bonds9

About 2,3,7,11-tetramethyldodec-2-enal

2,3,7,11-tetramethyldodec-2-enal (PubChem CID 142762169) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2,3,7,11-tetramethyldodec-2-enal.

Molecular Properties

Compound Name2,3,7,11-tetramethyldodec-2-enal
PubChem CID142762169
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2,3,7,11-tetramethyldodec-2-enal
SMILESCC(C=O)=C(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C16H30O/c1-13(2)8-6-9-14(3)10-7-11-15(4)16(5)12-17/h12-14H,6-11H2,1-5H3
InChIKeyBSGWPUYPCWOFCW-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.15
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
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
(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
(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
CID 118035354
(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 2,3,7,11-tetramethyldodec-2-enal?
The IUPAC name of 2,3,7,11-tetramethyldodec-2-enal (CID 142762169) is 2,3,7,11-tetramethyldodec-2-enal.
What is the SMILES notation for 2,3,7,11-tetramethyldodec-2-enal?
The canonical SMILES for 2,3,7,11-tetramethyldodec-2-enal is CC(C=O)=C(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 2,3,7,11-tetramethyldodec-2-enal?
The InChIKey is BSGWPUYPCWOFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-13(2)8-6-9-14(3)10-7-11-15(4)16(5)12-17/h12-14H,6-11H2,1-5H3.
What are the key properties of 2,3,7,11-tetramethyldodec-2-enal?
2,3,7,11-tetramethyldodec-2-enal has a molecular weight of 238.41 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,11-tetramethyldodec-2-enal is sourced from PubChem (CID 142762169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).