(Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione

C14H24O2 — CID 131974233

IUPAC(Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione
SMILESCCC(C)(C)C(=O)/C=C\C(=O)C(C)(C)CC
InChIInChI=1S/C14H24O2/c1-7-13(3,4)11(15)9-10-12(16)14(5,6)8-2/h9-10H,7-8H2,1-6H3/b10-9-
InChIKeyGGQPRSSTHZHHJX-KTKRTIGZSA-N
MW224.34 g/mol
LogP3.55
Rot. Bonds6

About (Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione

(Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione (PubChem CID 131974233) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione.

Molecular Properties

Compound Name(Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione
PubChem CID131974233
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione
SMILESCCC(C)(C)C(=O)/C=C\C(=O)C(C)(C)CC
InChIInChI=1S/C14H24O2/c1-7-13(3,4)11(15)9-10-12(16)14(5,6)8-2/h9-10H,7-8H2,1-6H3/b10-9-
InChIKeyGGQPRSSTHZHHJX-KTKRTIGZSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
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 (Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione?
The IUPAC name of (Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione (CID 131974233) is (Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione.
What is the SMILES notation for (Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione?
The canonical SMILES for (Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione is CCC(C)(C)C(=O)/C=C\C(=O)C(C)(C)CC.
What is the InChIKey of (Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione?
The InChIKey is GGQPRSSTHZHHJX-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H24O2/c1-7-13(3,4)11(15)9-10-12(16)14(5,6)8-2/h9-10H,7-8H2,1-6H3/b10-9-.
What are the key properties of (Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione?
(Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione has a molecular weight of 224.34 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,8,8-tetramethyldec-5-ene-4,7-dione is sourced from PubChem (CID 131974233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).