(2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane

C12H22 — CID 59650602

IUPAC(2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane
SMILESC=CCC(C)CC[C@@H]1CC1(C)C
InChIInChI=1S/C12H22/c1-5-6-10(2)7-8-11-9-12(11,3)4/h5,10-11H,1,6-9H2,2-4H3/t10?,11-/m1/s1
InChIKeyMFZIGTYEPZLKFE-RRKGBCIJSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds5

About (2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane

(2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane (PubChem CID 59650602) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane.

Molecular Properties

Compound Name(2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane
PubChem CID59650602
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane
SMILESC=CCC(C)CC[C@@H]1CC1(C)C
InChIInChI=1S/C12H22/c1-5-6-10(2)7-8-11-9-12(11,3)4/h5,10-11H,1,6-9H2,2-4H3/t10?,11-/m1/s1
InChIKeyMFZIGTYEPZLKFE-RRKGBCIJSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
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 (2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane?
The IUPAC name of (2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane (CID 59650602) is (2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane.
What is the SMILES notation for (2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane?
The canonical SMILES for (2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane is C=CCC(C)CC[C@@H]1CC1(C)C.
What is the InChIKey of (2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane?
The InChIKey is MFZIGTYEPZLKFE-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H22/c1-5-6-10(2)7-8-11-9-12(11,3)4/h5,10-11H,1,6-9H2,2-4H3/t10?,11-/m1/s1.
What are the key properties of (2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane?
(2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-dimethyl-2-(3-methylhex-5-enyl)cyclopropane is sourced from PubChem (CID 59650602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).