(1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane

C17H28 — CID 177272316

IUPAC(1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C[C@]1(C)CC[C@@](C)(C(=C)C)C[C@@]1(C)C(=C)C
InChIInChI=1S/C17H28/c1-9-16(7)11-10-15(6,13(2)3)12-17(16,8)14(4)5/h9H,1-2,4,10-12H2,3,5-8H3/t15-,16-,17+/m1/s1
InChIKeyGULVQMSCNSQHJP-ZACQAIPSSA-N
MW232.41 g/mol
LogP5.53
Rot. Bonds3

About (1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane

(1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane (PubChem CID 177272316) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is (1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name(1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane
PubChem CID177272316
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name(1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C[C@]1(C)CC[C@@](C)(C(=C)C)C[C@@]1(C)C(=C)C
InChIInChI=1S/C17H28/c1-9-16(7)11-10-15(6,13(2)3)12-17(16,8)14(4)5/h9H,1-2,4,10-12H2,3,5-8H3/t15-,16-,17+/m1/s1
InChIKeyGULVQMSCNSQHJP-ZACQAIPSSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane?
The IUPAC name of (1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane (CID 177272316) is (1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane.
What is the SMILES notation for (1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane?
The canonical SMILES for (1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane is C=C[C@]1(C)CC[C@@](C)(C(=C)C)C[C@@]1(C)C(=C)C.
What is the InChIKey of (1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane?
The InChIKey is GULVQMSCNSQHJP-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H28/c1-9-16(7)11-10-15(6,13(2)3)12-17(16,8)14(4)5/h9H,1-2,4,10-12H2,3,5-8H3/t15-,16-,17+/m1/s1.
What are the key properties of (1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane?
(1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane has a molecular weight of 232.41 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 177272316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).