(1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane

C18H30O2 — CID 44571138

IUPAC(1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C[C@]1(C)CC[C@@H](C(=C)COCCOC)C[C@H]1C(=C)C
InChIInChI=1S/C18H30O2/c1-7-18(5)9-8-16(12-17(18)14(2)3)15(4)13-20-11-10-19-6/h7,16-17H,1-2,4,8-13H2,3,5-6H3/t16-,17+,18-/m1/s1
InChIKeyNIIRVXYEONYOAO-FGTMMUONSA-N
MW278.44 g/mol
LogP4.39
Rot. Bonds8

About (1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane

(1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane (PubChem CID 44571138) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane
PubChem CID44571138
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C[C@]1(C)CC[C@@H](C(=C)COCCOC)C[C@H]1C(=C)C
InChIInChI=1S/C18H30O2/c1-7-18(5)9-8-16(12-17(18)14(2)3)15(4)13-20-11-10-19-6/h7,16-17H,1-2,4,8-13H2,3,5-6H3/t16-,17+,18-/m1/s1
InChIKeyNIIRVXYEONYOAO-FGTMMUONSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of (1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane (CID 44571138) is (1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for (1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for (1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane is C=C[C@]1(C)CC[C@@H](C(=C)COCCOC)C[C@H]1C(=C)C.
What is the InChIKey of (1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane?
The InChIKey is NIIRVXYEONYOAO-FGTMMUONSA-N. The full InChI is InChI=1S/C18H30O2/c1-7-18(5)9-8-16(12-17(18)14(2)3)15(4)13-20-11-10-19-6/h7,16-17H,1-2,4,8-13H2,3,5-6H3/t16-,17+,18-/m1/s1.
What are the key properties of (1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane?
(1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane has a molecular weight of 278.44 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-1-ethenyl-4-[3-(2-methoxyethoxy)prop-1-en-2-yl]-1-methyl-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 44571138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).