3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene

C14H24 — CID 58291525

IUPAC3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene
SMILESCC(C)=C1C(C(C)C)=CC(C)C1(C)C
InChIInChI=1S/C14H24/c1-9(2)12-8-11(5)14(6,7)13(12)10(3)4/h8-9,11H,1-7H3
InChIKeyRTWAVTNTTYIFGZ-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.58
Rot. Bonds1

About 3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene

3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene (PubChem CID 58291525) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene.

Molecular Properties

Compound Name3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene
PubChem CID58291525
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene
SMILESCC(C)=C1C(C(C)C)=CC(C)C1(C)C
InChIInChI=1S/C14H24/c1-9(2)12-8-11(5)14(6,7)13(12)10(3)4/h8-9,11H,1-7H3
InChIKeyRTWAVTNTTYIFGZ-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene?
The IUPAC name of 3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene (CID 58291525) is 3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene.
What is the SMILES notation for 3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene?
The canonical SMILES for 3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene is CC(C)=C1C(C(C)C)=CC(C)C1(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene?
The InChIKey is RTWAVTNTTYIFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-9(2)12-8-11(5)14(6,7)13(12)10(3)4/h8-9,11H,1-7H3.
What are the key properties of 3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene?
3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene has a molecular weight of 192.35 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-propan-2-yl-5-propan-2-ylidenecyclopentene is sourced from PubChem (CID 58291525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).