(1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane

C18H32O — CID 134932427

IUPAC(1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane
SMILESCCCC/C=C\C=C/O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C18H32O/c1-5-6-7-8-9-10-13-19-18-14-16(4)11-12-17(18)15(2)3/h8-10,13,15-18H,5-7,11-12,14H2,1-4H3/b9-8-,13-10-/t16-,17+,18-/m1/s1
InChIKeyFAUQNPOSUWXTBZ-BXBWBFLPSA-N
MW264.45 g/mol
LogP5.72
Rot. Bonds7

About (1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane

(1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane (PubChem CID 134932427) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane
PubChem CID134932427
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane
SMILESCCCC/C=C\C=C/O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C18H32O/c1-5-6-7-8-9-10-13-19-18-14-16(4)11-12-17(18)15(2)3/h8-10,13,15-18H,5-7,11-12,14H2,1-4H3/b9-8-,13-10-/t16-,17+,18-/m1/s1
InChIKeyFAUQNPOSUWXTBZ-BXBWBFLPSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane (CID 134932427) is (1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane is CCCC/C=C\C=C/O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane?
The InChIKey is FAUQNPOSUWXTBZ-BXBWBFLPSA-N. The full InChI is InChI=1S/C18H32O/c1-5-6-7-8-9-10-13-19-18-14-16(4)11-12-17(18)15(2)3/h8-10,13,15-18H,5-7,11-12,14H2,1-4H3/b9-8-,13-10-/t16-,17+,18-/m1/s1.
What are the key properties of (1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane?
(1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane has a molecular weight of 264.45 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-methyl-2-[(1Z,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane is sourced from PubChem (CID 134932427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).