(2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol

C10H20O2 — CID 14546142

IUPAC(2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol
SMILESC=C(C)[C@](C)(CO)[C@H](O)C(C)C
InChIInChI=1S/C10H20O2/c1-7(2)9(12)10(5,6-11)8(3)4/h7,9,11-12H,3,6H2,1-2,4-5H3/t9-,10+/m1/s1
InChIKeyJCXUCPAPXJNITM-ZJUUUORDSA-N
MW172.27 g/mol
LogP1.58
Rot. Bonds4

About (2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol

(2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol (PubChem CID 14546142) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol
PubChem CID14546142
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol
SMILESC=C(C)[C@](C)(CO)[C@H](O)C(C)C
InChIInChI=1S/C10H20O2/c1-7(2)9(12)10(5,6-11)8(3)4/h7,9,11-12H,3,6H2,1-2,4-5H3/t9-,10+/m1/s1
InChIKeyJCXUCPAPXJNITM-ZJUUUORDSA-N
XLogP1.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropane;2,2,4-trimethylpentane-1,3-diol
CID 160920366
2,2,4-trimethylpentane-1,3-diol;hydrate
CID 176902266
(1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol
CID 11435805
2,2,3-trimethylbut-3-en-1-ol
CID 4606994
acetyl acetate;2,2,4-trimethylpentane-1,3-diol
CID 146303073
2,4-dimethyl-2-propylpentane-1,3-diol
CID 19375233
2,6,7,7-tetramethyloct-1-en-4-ol
CID 115816985
2,2,5,5,7-pentamethyloctane-1,4,6-triol
CID 175140928
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
bis(2-methylpropanoate);2,2,4-trimethylpentane-1,3-diol
CID 53400269
(3S,4S)-4-hydroperoxy-2,2,5-trimethylhex-5-ene-1,3-diol
CID 102388386
2,4-dimethylpent-1-ene;ethane
CID 143336990

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol?
The IUPAC name of (2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol (CID 14546142) is (2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol.
What is the SMILES notation for (2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol?
The canonical SMILES for (2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol is C=C(C)[C@](C)(CO)[C@H](O)C(C)C.
What is the InChIKey of (2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol?
The InChIKey is JCXUCPAPXJNITM-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)9(12)10(5,6-11)8(3)4/h7,9,11-12H,3,6H2,1-2,4-5H3/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol?
(2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol is sourced from PubChem (CID 14546142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).