trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane

C19H34 — CID 15357315

IUPACtrans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CC[C@@H](C)C/C1=C\[C@H](C)C1CCCCC1
InChIInChI=1S/C19H34/c1-14(2)19-11-10-15(3)12-18(19)13-16(4)17-8-6-5-7-9-17/h13-17,19H,5-12H2,1-4H3/b18-13+/t15-,16+,19+/m1/s1
InChIKeyISWVUBFCHVKUAD-YUYNLEIKSA-N
MW262.48 g/mol
LogP6.22
Rot. Bonds3

About trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane

trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 15357315) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Nametrans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane
PubChem CID15357315
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Nametrans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CC[C@@H](C)C/C1=C\[C@H](C)C1CCCCC1
InChIInChI=1S/C19H34/c1-14(2)19-11-10-15(3)12-18(19)13-16(4)17-8-6-5-7-9-17/h13-17,19H,5-12H2,1-4H3/b18-13+/t15-,16+,19+/m1/s1
InChIKeyISWVUBFCHVKUAD-YUYNLEIKSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane (CID 15357315) is trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane is CC(C)[C@@H]1CC[C@@H](C)C/C1=C\[C@H](C)C1CCCCC1.
What is the InChIKey of trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is ISWVUBFCHVKUAD-YUYNLEIKSA-N. The full InChI is InChI=1S/C19H34/c1-14(2)19-11-10-15(3)12-18(19)13-16(4)17-8-6-5-7-9-17/h13-17,19H,5-12H2,1-4H3/b18-13+/t15-,16+,19+/m1/s1.
What are the key properties of trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane?
trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 262.48 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 15357315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).