(2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol

C9H18O2 — CID 151523369

IUPAC(2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol
SMILESC/C=C/[C@](C)(CO)CCCO
InChIInChI=1S/C9H18O2/c1-3-5-9(2,8-11)6-4-7-10/h3,5,10-11H,4,6-8H2,1-2H3/b5-3+/t9-/m0/s1
InChIKeyPUXYGSWSTYMGML-SGRBOOSSSA-N
MW158.24 g/mol
LogP1.33
Rot. Bonds5

About (2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol

(2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol (PubChem CID 151523369) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol.

Molecular Properties

Compound Name(2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol
PubChem CID151523369
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol
SMILESC/C=C/[C@](C)(CO)CCCO
InChIInChI=1S/C9H18O2/c1-3-5-9(2,8-11)6-4-7-10/h3,5,10-11H,4,6-8H2,1-2H3/b5-3+/t9-/m0/s1
InChIKeyPUXYGSWSTYMGML-SGRBOOSSSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol?
The IUPAC name of (2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol (CID 151523369) is (2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol.
What is the SMILES notation for (2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol?
The canonical SMILES for (2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol is C/C=C/[C@](C)(CO)CCCO.
What is the InChIKey of (2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol?
The InChIKey is PUXYGSWSTYMGML-SGRBOOSSSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-5-9(2,8-11)6-4-7-10/h3,5,10-11H,4,6-8H2,1-2H3/b5-3+/t9-/m0/s1.
What are the key properties of (2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol?
(2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol has a molecular weight of 158.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[(E)-prop-1-enyl]pentane-1,5-diol is sourced from PubChem (CID 151523369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).