(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol

C11H18O — CID 15202331

IUPAC(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol
SMILESCC1=C(C)C(C)(CO)C(C)=C1C
InChIInChI=1S/C11H18O/c1-7-8(2)10(4)11(5,6-12)9(7)3/h12H,6H2,1-5H3
InChIKeyGUDXVVMHJSJXBR-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds1

About (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol

(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol (PubChem CID 15202331) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol
PubChem CID15202331
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol
SMILESCC1=C(C)C(C)(CO)C(C)=C1C
InChIInChI=1S/C11H18O/c1-7-8(2)10(4)11(5,6-12)9(7)3/h12H,6H2,1-5H3
InChIKeyGUDXVVMHJSJXBR-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol?
The IUPAC name of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol (CID 15202331) is (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol.
What is the SMILES notation for (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol?
The canonical SMILES for (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol is CC1=C(C)C(C)(CO)C(C)=C1C.
What is the InChIKey of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol?
The InChIKey is GUDXVVMHJSJXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-8(2)10(4)11(5,6-12)9(7)3/h12H,6H2,1-5H3.
What are the key properties of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol?
(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol is sourced from PubChem (CID 15202331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).