(5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one

C15H18O2 — CID 90473733

IUPAC(5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one
SMILESC/C1=C/Cc2c(C)coc2C(=O)/C(C)=C\CC1
InChIInChI=1S/C15H18O2/c1-10-5-4-6-11(2)14(16)15-13(8-7-10)12(3)9-17-15/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6-
InChIKeyHPDPXMXGOKJKHX-LXQMTTSMSA-N
MW230.31 g/mol
LogP4.00
Rot. Bonds

About (5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one

(5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one (PubChem CID 90473733) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one.

Molecular Properties

Compound Name(5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one
PubChem CID90473733
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one
SMILESC/C1=C/Cc2c(C)coc2C(=O)/C(C)=C\CC1
InChIInChI=1S/C15H18O2/c1-10-5-4-6-11(2)14(16)15-13(8-7-10)12(3)9-17-15/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6-
InChIKeyHPDPXMXGOKJKHX-LXQMTTSMSA-N
XLogP4.00
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.00
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 (5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one?
The IUPAC name of (5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one (CID 90473733) is (5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one.
What is the SMILES notation for (5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one?
The canonical SMILES for (5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one is C/C1=C/Cc2c(C)coc2C(=O)/C(C)=C\CC1.
What is the InChIKey of (5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one?
The InChIKey is HPDPXMXGOKJKHX-LXQMTTSMSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-5-4-6-11(2)14(16)15-13(8-7-10)12(3)9-17-15/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6-.
What are the key properties of (5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one?
(5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one has a molecular weight of 230.31 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one is sourced from PubChem (CID 90473733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).