(4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene

C14H24 — CID 102138929

IUPAC(4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene
SMILESC=CC(C)C1=CC[C@@H](C(C)(C)C)CC1
InChIInChI=1S/C14H24/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h6-7,11,13H,1,8-10H2,2-5H3/t11?,13-/m1/s1
InChIKeyXGPOFXPTWISDMV-GLGOKHISSA-N
MW192.35 g/mol
LogP4.58
Rot. Bonds2

About (4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene

(4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene (PubChem CID 102138929) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene.

Molecular Properties

Compound Name(4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene
PubChem CID102138929
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene
SMILESC=CC(C)C1=CC[C@@H](C(C)(C)C)CC1
InChIInChI=1S/C14H24/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h6-7,11,13H,1,8-10H2,2-5H3/t11?,13-/m1/s1
InChIKeyXGPOFXPTWISDMV-GLGOKHISSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.58
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 (4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene?
The IUPAC name of (4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene (CID 102138929) is (4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene.
What is the SMILES notation for (4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene?
The canonical SMILES for (4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene is C=CC(C)C1=CC[C@@H](C(C)(C)C)CC1.
What is the InChIKey of (4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene?
The InChIKey is XGPOFXPTWISDMV-GLGOKHISSA-N. The full InChI is InChI=1S/C14H24/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h6-7,11,13H,1,8-10H2,2-5H3/t11?,13-/m1/s1.
What are the key properties of (4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene?
(4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene has a molecular weight of 192.35 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-but-3-en-2-yl-4-tert-butylcyclohexene is sourced from PubChem (CID 102138929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).