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

C16H26O — CID 44571135

IUPAC(1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C[C@]1(C)CC[C@@H](C(=C)COC)C[C@H]1C(=C)C
InChIInChI=1S/C16H26O/c1-7-16(5)9-8-14(13(4)11-17-6)10-15(16)12(2)3/h7,14-15H,1-2,4,8-11H2,3,5-6H3/t14-,15+,16-/m1/s1
InChIKeyLZGICWHALDMBMF-OWCLPIDISA-N
MW234.38 g/mol
LogP4.37
Rot. Bonds5

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

(1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane (PubChem CID 44571135) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane
PubChem CID44571135
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C[C@]1(C)CC[C@@H](C(=C)COC)C[C@H]1C(=C)C
InChIInChI=1S/C16H26O/c1-7-16(5)9-8-14(13(4)11-17-6)10-15(16)12(2)3/h7,14-15H,1-2,4,8-11H2,3,5-6H3/t14-,15+,16-/m1/s1
InChIKeyLZGICWHALDMBMF-OWCLPIDISA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.37
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 (1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of (1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane (CID 44571135) is (1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-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-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for (1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane is C=C[C@]1(C)CC[C@@H](C(=C)COC)C[C@H]1C(=C)C.
What is the InChIKey of (1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane?
The InChIKey is LZGICWHALDMBMF-OWCLPIDISA-N. The full InChI is InChI=1S/C16H26O/c1-7-16(5)9-8-14(13(4)11-17-6)10-15(16)12(2)3/h7,14-15H,1-2,4,8-11H2,3,5-6H3/t14-,15+,16-/m1/s1.
What are the key properties of (1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane?
(1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane has a molecular weight of 234.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-1-ethenyl-4-(3-methoxyprop-1-en-2-yl)-1-methyl-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 44571135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).