(4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene

C22H34O — CID 89116330

IUPAC(4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene
SMILESC=C(C)C1=CCC([C@@H]2CC=C(CC)CC2CC)C(C(=C)OC)C1
InChIInChI=1S/C22H34O/c1-7-17-9-11-20(18(8-2)13-17)21-12-10-19(15(3)4)14-22(21)16(5)23-6/h9-10,18,20-22H,3,5,7-8,11-14H2,1-2,4,6H3/t18?,20-,21?,22?/m1/s1
InChIKeySNQUBVIKWSOACQ-WRCMFQCYSA-N
MW314.51 g/mol
LogP6.45
Rot. Bonds6

About (4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene

(4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene (PubChem CID 89116330) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is (4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene.

Molecular Properties

Compound Name(4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene
PubChem CID89116330
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name(4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene
SMILESC=C(C)C1=CCC([C@@H]2CC=C(CC)CC2CC)C(C(=C)OC)C1
InChIInChI=1S/C22H34O/c1-7-17-9-11-20(18(8-2)13-17)21-12-10-19(15(3)4)14-22(21)16(5)23-6/h9-10,18,20-22H,3,5,7-8,11-14H2,1-2,4,6H3/t18?,20-,21?,22?/m1/s1
InChIKeySNQUBVIKWSOACQ-WRCMFQCYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene?
The IUPAC name of (4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene (CID 89116330) is (4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene.
What is the SMILES notation for (4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene?
The canonical SMILES for (4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene is C=C(C)C1=CCC([C@@H]2CC=C(CC)CC2CC)C(C(=C)OC)C1.
What is the InChIKey of (4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene?
The InChIKey is SNQUBVIKWSOACQ-WRCMFQCYSA-N. The full InChI is InChI=1S/C22H34O/c1-7-17-9-11-20(18(8-2)13-17)21-12-10-19(15(3)4)14-22(21)16(5)23-6/h9-10,18,20-22H,3,5,7-8,11-14H2,1-2,4,6H3/t18?,20-,21?,22?/m1/s1.
What are the key properties of (4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene?
(4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene has a molecular weight of 314.51 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene is sourced from PubChem (CID 89116330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).