(2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol

C12H24O2 — CID 10584205

IUPAC(2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol
SMILESC=CC[C@H](CO)[C@H](O)CCCC(C)C
InChIInChI=1S/C12H24O2/c1-4-6-11(9-13)12(14)8-5-7-10(2)3/h4,10-14H,1,5-9H2,2-3H3/t11-,12-/m1/s1
InChIKeyUOFQQFWLDQWRFT-VXGBXAGGSA-N
MW200.32 g/mol
LogP2.36
Rot. Bonds8

About (2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol

(2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol (PubChem CID 10584205) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol
PubChem CID10584205
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol
SMILESC=CC[C@H](CO)[C@H](O)CCCC(C)C
InChIInChI=1S/C12H24O2/c1-4-6-11(9-13)12(14)8-5-7-10(2)3/h4,10-14H,1,5-9H2,2-3H3/t11-,12-/m1/s1
InChIKeyUOFQQFWLDQWRFT-VXGBXAGGSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.36
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,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol?
The IUPAC name of (2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol (CID 10584205) is (2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol.
What is the SMILES notation for (2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol?
The canonical SMILES for (2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol is C=CC[C@H](CO)[C@H](O)CCCC(C)C.
What is the InChIKey of (2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol?
The InChIKey is UOFQQFWLDQWRFT-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-6-11(9-13)12(14)8-5-7-10(2)3/h4,10-14H,1,5-9H2,2-3H3/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol?
(2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol has a molecular weight of 200.32 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-7-methyl-2-prop-2-enyloctane-1,3-diol is sourced from PubChem (CID 10584205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).