(E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one

C16H30O2 — CID 54671996

IUPAC(E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one
SMILESCCC(=O)/C(C)=C/C(C)CC(C)CC(C)(O)CC
InChIInChI=1S/C16H30O2/c1-7-15(17)14(5)10-12(3)9-13(4)11-16(6,18)8-2/h10,12-13,18H,7-9,11H2,1-6H3/b14-10+
InChIKeyNFZDDCVNVZBRDV-GXDHUFHOSA-N
MW254.41 g/mol
LogP4.13
Rot. Bonds8

About (E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one

(E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one (PubChem CID 54671996) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one.

Molecular Properties

Compound Name(E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one
PubChem CID54671996
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one
SMILESCCC(=O)/C(C)=C/C(C)CC(C)CC(C)(O)CC
InChIInChI=1S/C16H30O2/c1-7-15(17)14(5)10-12(3)9-13(4)11-16(6,18)8-2/h10,12-13,18H,7-9,11H2,1-6H3/b14-10+
InChIKeyNFZDDCVNVZBRDV-GXDHUFHOSA-N
XLogP4.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one?
The IUPAC name of (E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one (CID 54671996) is (E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one.
What is the SMILES notation for (E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one?
The canonical SMILES for (E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one is CCC(=O)/C(C)=C/C(C)CC(C)CC(C)(O)CC.
What is the InChIKey of (E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one?
The InChIKey is NFZDDCVNVZBRDV-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H30O2/c1-7-15(17)14(5)10-12(3)9-13(4)11-16(6,18)8-2/h10,12-13,18H,7-9,11H2,1-6H3/b14-10+.
What are the key properties of (E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one?
(E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one has a molecular weight of 254.41 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one is sourced from PubChem (CID 54671996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).