(2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one

C18H26O3 — CID 11483155

IUPAC(2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one
SMILESCC(C)OCC/C=C1\C(=O)CCCC1CCc1ccoc1
InChIInChI=1S/C18H26O3/c1-14(2)21-11-4-6-17-16(5-3-7-18(17)19)9-8-15-10-12-20-13-15/h6,10,12-14,16H,3-5,7-9,11H2,1-2H3/b17-6-
InChIKeyQANSQYMNTWHEMU-FMQZQXMHSA-N
MW290.40 g/mol
LogP4.32
Rot. Bonds7

About (2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one

(2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one (PubChem CID 11483155) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one
PubChem CID11483155
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one
SMILESCC(C)OCC/C=C1\C(=O)CCCC1CCc1ccoc1
InChIInChI=1S/C18H26O3/c1-14(2)21-11-4-6-17-16(5-3-7-18(17)19)9-8-15-10-12-20-13-15/h6,10,12-14,16H,3-5,7-9,11H2,1-2H3/b17-6-
InChIKeyQANSQYMNTWHEMU-FMQZQXMHSA-N
XLogP4.32
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(furan-3-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane
CID 11184284
1-cyclopropyl-3-(furan-3-yl)propan-1-amine
CID 64506064
3-cyclopropyl-1-(furan-3-yl)butan-2-one
CID 115795878
1-(furan-3-ylmethyl)-2-propan-2-ylazetidine
CID 127001213
(4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
CID 162930245
(1R,4aR,4bS,8aS,10aS)-1-[2-(furan-3-yl)ethyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-one
CID 71681687
3-(3-chlorobutyl)furan
CID 64514685
propan-2-yl 3-[(2S,3R)-2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate
CID 162998814
[(E)-1-cyclopropyl-5-(furan-3-yl)pent-1-enoxy]-trimethylsilane
CID 11173115
2-methyl-5-(2-phenylethyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114928963
1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 83183625
1-cyclobutyl-2-(furan-3-yl)-N-methylethanamine
CID 83175338

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one?
The IUPAC name of (2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one (CID 11483155) is (2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one.
What is the SMILES notation for (2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one?
The canonical SMILES for (2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one is CC(C)OCC/C=C1\C(=O)CCCC1CCc1ccoc1.
What is the InChIKey of (2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one?
The InChIKey is QANSQYMNTWHEMU-FMQZQXMHSA-N. The full InChI is InChI=1S/C18H26O3/c1-14(2)21-11-4-6-17-16(5-3-7-18(17)19)9-8-15-10-12-20-13-15/h6,10,12-14,16H,3-5,7-9,11H2,1-2H3/b17-6-.
What are the key properties of (2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one?
(2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one has a molecular weight of 290.40 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[2-(furan-3-yl)ethyl]-2-(3-propan-2-yloxypropylidene)cyclohexan-1-one is sourced from PubChem (CID 11483155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).