(2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol

C14H25O2P — CID 137231066

IUPAC(2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol
SMILESCC(C)(C)P(=O)(C1=C(CO)C=CC1)C(C)(C)C
InChIInChI=1S/C14H25O2P/c1-13(2,3)17(16,14(4,5)6)12-9-7-8-11(12)10-15/h7-8,15H,9-10H2,1-6H3
InChIKeyRRONULZQSMDYJO-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.15
Rot. Bonds2

About (2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol

(2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol (PubChem CID 137231066) has the molecular formula C14H25O2P and a molecular weight of 256.33 g/mol. Its IUPAC name is (2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol
PubChem CID137231066
Molecular FormulaC14H25O2P
Molecular Weight256.33 g/mol
Exact Mass256.16
IUPAC Name(2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol
SMILESCC(C)(C)P(=O)(C1=C(CO)C=CC1)C(C)(C)C
InChIInChI=1S/C14H25O2P/c1-13(2,3)17(16,14(4,5)6)12-9-7-8-11(12)10-15/h7-8,15H,9-10H2,1-6H3
InChIKeyRRONULZQSMDYJO-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol?
The IUPAC name of (2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol (CID 137231066) is (2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol.
What is the SMILES notation for (2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol?
The canonical SMILES for (2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol is CC(C)(C)P(=O)(C1=C(CO)C=CC1)C(C)(C)C.
What is the InChIKey of (2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol?
The InChIKey is RRONULZQSMDYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O2P/c1-13(2,3)17(16,14(4,5)6)12-9-7-8-11(12)10-15/h7-8,15H,9-10H2,1-6H3.
What are the key properties of (2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol?
(2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol has a molecular weight of 256.33 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ditert-butylphosphorylcyclopenta-1,4-dien-1-yl)methanol is sourced from PubChem (CID 137231066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).