(3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol

C10H20O2 — CID 101088823

IUPAC(3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol
SMILESC[C@@H](CCO)CCC1OC1(C)C
InChIInChI=1S/C10H20O2/c1-8(6-7-11)4-5-9-10(2,3)12-9/h8-9,11H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyKCNJNSNPPWXJGM-VEDVMXKPSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds5

About (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol

(3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol (PubChem CID 101088823) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name(3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol
PubChem CID101088823
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol
SMILESC[C@@H](CCO)CCC1OC1(C)C
InChIInChI=1S/C10H20O2/c1-8(6-7-11)4-5-9-10(2,3)12-9/h8-9,11H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyKCNJNSNPPWXJGM-VEDVMXKPSA-N
XLogP1.96
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
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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Launch Full Analysis

Related Compounds

2-[2-(3,3-dimethyloxiran-2-yl)ethyl]butane-1,4-diol
CID 135084125
(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane
CID 59051060
2,2-dimethyl-3-[(3R)-3-methylnonyl]oxirane
CID 11052980
[(3R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-3-methylpentyl] acetate
CID 14470430
2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane
CID 527249
[(2S,3S)-3-[(3S)-3,5-dimethylhexyl]-2-methyloxiran-2-yl]methanol
CID 11790226
ethyl (5S)-7-[(2R)-3,3-dimethyloxiran-2-yl]-5-methylhept-2-enoate
CID 173271259
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol
CID 134895154
(3S)-5-(3,3-dimethyloxiran-2-yl)pent-1-en-3-amine
CID 146180433
(2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol
CID 102348877
(3R)-5-bromo-3-methylpentan-1-ol
CID 139766878

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol?
The IUPAC name of (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol (CID 101088823) is (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol.
What is the SMILES notation for (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol?
The canonical SMILES for (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol is C[C@@H](CCO)CCC1OC1(C)C.
What is the InChIKey of (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol?
The InChIKey is KCNJNSNPPWXJGM-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(6-7-11)4-5-9-10(2,3)12-9/h8-9,11H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol?
(3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 101088823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).