(1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane

C16H26O — CID 102073164

IUPAC(1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane
SMILESC=CCO[C@@]1(C(=C)C)C[C@H](C)CC[C@H]1C(=C)C
InChIInChI=1S/C16H26O/c1-7-10-17-16(13(4)5)11-14(6)8-9-15(16)12(2)3/h7,14-15H,1-2,4,8-11H2,3,5-6H3/t14-,15+,16-/m1/s1
InChIKeyDLOFNECTZARVKE-OWCLPIDISA-N
MW234.38 g/mol
LogP4.52
Rot. Bonds5

About (1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane

(1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane (PubChem CID 102073164) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name(1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane
PubChem CID102073164
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane
SMILESC=CCO[C@@]1(C(=C)C)C[C@H](C)CC[C@H]1C(=C)C
InChIInChI=1S/C16H26O/c1-7-10-17-16(13(4)5)11-14(6)8-9-15(16)12(2)3/h7,14-15H,1-2,4,8-11H2,3,5-6H3/t14-,15+,16-/m1/s1
InChIKeyDLOFNECTZARVKE-OWCLPIDISA-N
XLogP4.52
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 ≤ 54.52
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,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane?
The IUPAC name of (1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane (CID 102073164) is (1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane.
What is the SMILES notation for (1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane?
The canonical SMILES for (1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane is C=CCO[C@@]1(C(=C)C)C[C@H](C)CC[C@H]1C(=C)C.
What is the InChIKey of (1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane?
The InChIKey is DLOFNECTZARVKE-OWCLPIDISA-N. The full InChI is InChI=1S/C16H26O/c1-7-10-17-16(13(4)5)11-14(6)8-9-15(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,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane?
(1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane has a molecular weight of 234.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-5-methyl-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 102073164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).