(3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene

C14H24O — CID 71140433

IUPAC(3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene
SMILESCC(C)=CCO[C@H]1C=C(C)CC(C)(C)C1
InChIInChI=1S/C14H24O/c1-11(2)6-7-15-13-8-12(3)9-14(4,5)10-13/h6,8,13H,7,9-10H2,1-5H3/t13-/m0/s1
InChIKeyVGWALDHJERMOGS-ZDUSSCGKSA-N
MW208.34 g/mol
LogP4.10
Rot. Bonds3

About (3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene

(3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene (PubChem CID 71140433) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene.

Molecular Properties

Compound Name(3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene
PubChem CID71140433
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene
SMILESCC(C)=CCO[C@H]1C=C(C)CC(C)(C)C1
InChIInChI=1S/C14H24O/c1-11(2)6-7-15-13-8-12(3)9-14(4,5)10-13/h6,8,13H,7,9-10H2,1-5H3/t13-/m0/s1
InChIKeyVGWALDHJERMOGS-ZDUSSCGKSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.10
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 (3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene?
The IUPAC name of (3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene (CID 71140433) is (3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene.
What is the SMILES notation for (3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene?
The canonical SMILES for (3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene is CC(C)=CCO[C@H]1C=C(C)CC(C)(C)C1.
What is the InChIKey of (3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene?
The InChIKey is VGWALDHJERMOGS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)6-7-15-13-8-12(3)9-14(4,5)10-13/h6,8,13H,7,9-10H2,1-5H3/t13-/m0/s1.
What are the key properties of (3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene?
(3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene has a molecular weight of 208.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene is sourced from PubChem (CID 71140433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).