(2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol

C10H18O2 — CID 641670

IUPAC(2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol
SMILESC=C(C)C(CO)C[C@@H](O)C(=C)C
InChIInChI=1S/C10H18O2/c1-7(2)9(6-11)5-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3/t9?,10-/m1/s1
InChIKeyGVGCIKKRNRWACL-QVDQXJPCSA-N
MW170.25 g/mol
LogP1.50
Rot. Bonds5

About (2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol

(2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol (PubChem CID 641670) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol.

Molecular Properties

Compound Name(2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol
PubChem CID641670
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol
SMILESC=C(C)C(CO)C[C@@H](O)C(=C)C
InChIInChI=1S/C10H18O2/c1-7(2)9(6-11)5-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3/t9?,10-/m1/s1
InChIKeyGVGCIKKRNRWACL-QVDQXJPCSA-N
XLogP1.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.50
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,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol?
The IUPAC name of (2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol (CID 641670) is (2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol.
What is the SMILES notation for (2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol?
The canonical SMILES for (2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol is C=C(C)C(CO)C[C@@H](O)C(=C)C.
What is the InChIKey of (2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol?
The InChIKey is GVGCIKKRNRWACL-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9(6-11)5-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3/t9?,10-/m1/s1.
What are the key properties of (2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol?
(2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol has a molecular weight of 170.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol is sourced from PubChem (CID 641670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).