(4R)-4-butan-2-yl-1-propan-2-ylcyclohexene

C13H24 — CID 142893677

IUPAC(4R)-4-butan-2-yl-1-propan-2-ylcyclohexene
SMILESCCC(C)[C@H]1CC=C(C(C)C)CC1
InChIInChI=1S/C13H24/c1-5-11(4)13-8-6-12(7-9-13)10(2)3/h6,10-11,13H,5,7-9H2,1-4H3/t11?,13-/m0/s1
InChIKeyKHWIKXSGHABBSW-YUZLPWPTSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds3

About (4R)-4-butan-2-yl-1-propan-2-ylcyclohexene

(4R)-4-butan-2-yl-1-propan-2-ylcyclohexene (PubChem CID 142893677) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (4R)-4-butan-2-yl-1-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(4R)-4-butan-2-yl-1-propan-2-ylcyclohexene
PubChem CID142893677
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(4R)-4-butan-2-yl-1-propan-2-ylcyclohexene
SMILESCCC(C)[C@H]1CC=C(C(C)C)CC1
InChIInChI=1S/C13H24/c1-5-11(4)13-8-6-12(7-9-13)10(2)3/h6,10-11,13H,5,7-9H2,1-4H3/t11?,13-/m0/s1
InChIKeyKHWIKXSGHABBSW-YUZLPWPTSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
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 (4R)-4-butan-2-yl-1-propan-2-ylcyclohexene?
The IUPAC name of (4R)-4-butan-2-yl-1-propan-2-ylcyclohexene (CID 142893677) is (4R)-4-butan-2-yl-1-propan-2-ylcyclohexene.
What is the SMILES notation for (4R)-4-butan-2-yl-1-propan-2-ylcyclohexene?
The canonical SMILES for (4R)-4-butan-2-yl-1-propan-2-ylcyclohexene is CCC(C)[C@H]1CC=C(C(C)C)CC1.
What is the InChIKey of (4R)-4-butan-2-yl-1-propan-2-ylcyclohexene?
The InChIKey is KHWIKXSGHABBSW-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H24/c1-5-11(4)13-8-6-12(7-9-13)10(2)3/h6,10-11,13H,5,7-9H2,1-4H3/t11?,13-/m0/s1.
What are the key properties of (4R)-4-butan-2-yl-1-propan-2-ylcyclohexene?
(4R)-4-butan-2-yl-1-propan-2-ylcyclohexene has a molecular weight of 180.33 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-butan-2-yl-1-propan-2-ylcyclohexene is sourced from PubChem (CID 142893677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).