1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene

C20H30O — CID 162919016

IUPAC1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene
SMILESCC1=CC[C@](Oc2cc(C(C)C)ccc2C)(C(C)C)CC1
InChIInChI=1S/C20H30O/c1-14(2)18-8-7-17(6)19(13-18)21-20(15(3)4)11-9-16(5)10-12-20/h7-9,13-15H,10-12H2,1-6H3/t20-/m1/s1
InChIKeyFJIANVHLTBASMV-HXUWFJFHSA-N
MW286.46 g/mol
LogP6.02
Rot. Bonds4

About 1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene

1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene (PubChem CID 162919016) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene
PubChem CID162919016
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene
SMILESCC1=CC[C@](Oc2cc(C(C)C)ccc2C)(C(C)C)CC1
InChIInChI=1S/C20H30O/c1-14(2)18-8-7-17(6)19(13-18)21-20(15(3)4)11-9-16(5)10-12-20/h7-9,13-15H,10-12H2,1-6H3/t20-/m1/s1
InChIKeyFJIANVHLTBASMV-HXUWFJFHSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene?
The IUPAC name of 1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene (CID 162919016) is 1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene is CC1=CC[C@](Oc2cc(C(C)C)ccc2C)(C(C)C)CC1.
What is the InChIKey of 1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene?
The InChIKey is FJIANVHLTBASMV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30O/c1-14(2)18-8-7-17(6)19(13-18)21-20(15(3)4)11-9-16(5)10-12-20/h7-9,13-15H,10-12H2,1-6H3/t20-/m1/s1.
What are the key properties of 1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene?
1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene has a molecular weight of 286.46 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxy-4-propan-2-ylbenzene is sourced from PubChem (CID 162919016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).