(6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one

C20H30O2 — CID 163078771

IUPAC(6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one
SMILESCC(C)=CCCC(C)[C@H]1CC/C(C)=C/CCC2=C1C(=O)OC2
InChIInChI=1S/C20H30O2/c1-14(2)7-5-9-16(4)18-12-11-15(3)8-6-10-17-13-22-20(21)19(17)18/h7-8,16,18H,5-6,9-13H2,1-4H3/b15-8+/t16?,18-/m1/s1
InChIKeyJBDGMKIVDKWNHE-JLAVOQIUSA-N
MW302.46 g/mol
LogP5.36
Rot. Bonds4

About (6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one

(6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one (PubChem CID 163078771) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one.

Molecular Properties

Compound Name(6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one
PubChem CID163078771
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one
SMILESCC(C)=CCCC(C)[C@H]1CC/C(C)=C/CCC2=C1C(=O)OC2
InChIInChI=1S/C20H30O2/c1-14(2)7-5-9-16(4)18-12-11-15(3)8-6-10-17-13-22-20(21)19(17)18/h7-8,16,18H,5-6,9-13H2,1-4H3/b15-8+/t16?,18-/m1/s1
InChIKeyJBDGMKIVDKWNHE-JLAVOQIUSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Sedanolide
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Neocnidilide
CID 3083857
MKN-003a
CID 11075054
Phytyl laurate
CID 24837746
1-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 175609
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CID 73425517
(5Alpha,8Alpha)-2-Oxo-1(10),3,7(11)-Guaiatrien-12,8-Olide
CID 3013843
(4S,10R)-10-Ethyl-5,9,10,11-tetrahydro-4-propyl-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone
CID 164723
(3S,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 6475829

Frequently Asked Questions

What is the IUPAC name of (6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one?
The IUPAC name of (6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one (CID 163078771) is (6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one.
What is the SMILES notation for (6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one?
The canonical SMILES for (6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one is CC(C)=CCCC(C)[C@H]1CC/C(C)=C/CCC2=C1C(=O)OC2.
What is the InChIKey of (6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one?
The InChIKey is JBDGMKIVDKWNHE-JLAVOQIUSA-N. The full InChI is InChI=1S/C20H30O2/c1-14(2)7-5-9-16(4)18-12-11-15(3)8-6-10-17-13-22-20(21)19(17)18/h7-8,16,18H,5-6,9-13H2,1-4H3/b15-8+/t16?,18-/m1/s1.
What are the key properties of (6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one?
(6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one has a molecular weight of 302.46 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10R)-7-methyl-10-(6-methylhept-5-en-2-yl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one is sourced from PubChem (CID 163078771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).