(1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol

C11H22O2 — CID 88872013

IUPAC(1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol
SMILESCCCC(C)C(C)C[C@@H](O)[C@H]1CO1
InChIInChI=1S/C11H22O2/c1-4-5-8(2)9(3)6-10(12)11-7-13-11/h8-12H,4-7H2,1-3H3/t8?,9?,10-,11-/m1/s1
InChIKeyISGYJXQTDKKLEE-JPPWEJMLSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds6

About (1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol

(1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol (PubChem CID 88872013) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol.

Molecular Properties

Compound Name(1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol
PubChem CID88872013
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol
SMILESCCCC(C)C(C)C[C@@H](O)[C@H]1CO1
InChIInChI=1S/C11H22O2/c1-4-5-8(2)9(3)6-10(12)11-7-13-11/h8-12H,4-7H2,1-3H3/t8?,9?,10-,11-/m1/s1
InChIKeyISGYJXQTDKKLEE-JPPWEJMLSA-N
XLogP2.21
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(oxiran-2-yl)butan-1-ol
CID 73110178
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
(3-butan-2-yloxiran-2-yl)methanol;1-(oxiran-2-yl)butan-1-ol
CID 87670552
butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane
CID 19898407
4,5,7-trimethyldecane
CID 57490926
methanamine;2-methyloxirane;pentan-2-ol
CID 159958720
(2R)-3-methylhexan-2-ol
CID 88692749
(2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol
CID 175884544
1-(4-ethylmorpholin-2-yl)-2-methylpentan-1-ol
CID 107892986

Frequently Asked Questions

What is the IUPAC name of (1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol?
The IUPAC name of (1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol (CID 88872013) is (1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol.
What is the SMILES notation for (1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol?
The canonical SMILES for (1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol is CCCC(C)C(C)C[C@@H](O)[C@H]1CO1.
What is the InChIKey of (1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol?
The InChIKey is ISGYJXQTDKKLEE-JPPWEJMLSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-5-8(2)9(3)6-10(12)11-7-13-11/h8-12H,4-7H2,1-3H3/t8?,9?,10-,11-/m1/s1.
What are the key properties of (1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol?
(1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,4-dimethyl-1-[(2R)-oxiran-2-yl]heptan-1-ol is sourced from PubChem (CID 88872013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).