2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan

C17H26O2 — CID 101001931

IUPAC2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC/C=C/c1ccco1
InChIInChI=1S/C17H26O2/c1-13(2)16-9-8-14(3)12-17(16)19-11-5-7-15-6-4-10-18-15/h4-7,10,13-14,16-17H,8-9,11-12H2,1-3H3/b7-5+/t14-,16+,17-/m1/s1
InChIKeyNHTZRPIHRBTYOK-KOHMXHNUSA-N
MW262.39 g/mol
LogP4.77
Rot. Bonds5

About 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan

2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan (PubChem CID 101001931) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan.

Molecular Properties

Compound Name2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan
PubChem CID101001931
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC/C=C/c1ccco1
InChIInChI=1S/C17H26O2/c1-13(2)16-9-8-14(3)12-17(16)19-11-5-7-15-6-4-10-18-15/h4-7,10,13-14,16-17H,8-9,11-12H2,1-3H3/b7-5+/t14-,16+,17-/m1/s1
InChIKeyNHTZRPIHRBTYOK-KOHMXHNUSA-N
XLogP4.77
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan with MolForge

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Related Compounds

2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513
N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62571265
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate
CID 10978536
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-yl]methanamine
CID 62445744
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
ethyl (E)-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-enoate
CID 80545661
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole
CID 100962790
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan?
The IUPAC name of 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan (CID 101001931) is 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan.
What is the SMILES notation for 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan?
The canonical SMILES for 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC/C=C/c1ccco1.
What is the InChIKey of 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan?
The InChIKey is NHTZRPIHRBTYOK-KOHMXHNUSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)16-9-8-14(3)12-17(16)19-11-5-7-15-6-4-10-18-15/h4-7,10,13-14,16-17H,8-9,11-12H2,1-3H3/b7-5+/t14-,16+,17-/m1/s1.
What are the key properties of 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan?
2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan has a molecular weight of 262.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan is sourced from PubChem (CID 101001931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).