(1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol

C13H24O — CID 90863588

IUPAC(1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol
SMILESC=CC1(CO)CC(C)(C)C(C)C1(C)C
InChIInChI=1S/C13H24O/c1-7-13(9-14)8-11(3,4)10(2)12(13,5)6/h7,10,14H,1,8-9H2,2-6H3
InChIKeyJMVUUHCSYIUEFI-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.24
Rot. Bonds2

About (1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol

(1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol (PubChem CID 90863588) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol.

Molecular Properties

Compound Name(1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol
PubChem CID90863588
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol
SMILESC=CC1(CO)CC(C)(C)C(C)C1(C)C
InChIInChI=1S/C13H24O/c1-7-13(9-14)8-11(3,4)10(2)12(13,5)6/h7,10,14H,1,8-9H2,2-6H3
InChIKeyJMVUUHCSYIUEFI-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol?
The IUPAC name of (1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol (CID 90863588) is (1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol.
What is the SMILES notation for (1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol?
The canonical SMILES for (1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol is C=CC1(CO)CC(C)(C)C(C)C1(C)C.
What is the InChIKey of (1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol?
The InChIKey is JMVUUHCSYIUEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-7-13(9-14)8-11(3,4)10(2)12(13,5)6/h7,10,14H,1,8-9H2,2-6H3.
What are the key properties of (1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol?
(1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol has a molecular weight of 196.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenyl-2,2,3,4,4-pentamethylcyclopentyl)methanol is sourced from PubChem (CID 90863588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).