(6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione

C15H24O2 — CID 5362828

IUPAC(6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
SMILESC/C1=C/CCC(C)C(=O)CC(C(C)C)C(=O)C1
InChIInChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6-
InChIKeyKDPFMRXIVDLQKX-WDZFZDKYSA-N
MW236.35 g/mol
LogP3.55
Rot. Bonds1

About (6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione

(6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione (PubChem CID 5362828) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione.

Molecular Properties

Compound Name(6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
PubChem CID5362828
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
SMILESC/C1=C/CCC(C)C(=O)CC(C(C)C)C(=O)C1
InChIInChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6-
InChIKeyKDPFMRXIVDLQKX-WDZFZDKYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione?
The IUPAC name of (6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione (CID 5362828) is (6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione.
What is the SMILES notation for (6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione?
The canonical SMILES for (6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione is C/C1=C/CCC(C)C(=O)CC(C(C)C)C(=O)C1.
What is the InChIKey of (6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione?
The InChIKey is KDPFMRXIVDLQKX-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6-.
What are the key properties of (6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione?
(6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione has a molecular weight of 236.35 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione is sourced from PubChem (CID 5362828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).