(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol

C10H20O2 — CID 10997513

IUPAC(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
SMILESCCCCC[C@H](O)[C@H]1CCCO1
InChIInChI=1S/C10H20O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-11H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeySZXJOXHALDXHPQ-VHSXEESVSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds5

About (1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol

(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol (PubChem CID 10997513) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
PubChem CID10997513
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
SMILESCCCCC[C@H](O)[C@H]1CCCO1
InChIInChI=1S/C10H20O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-11H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeySZXJOXHALDXHPQ-VHSXEESVSA-N
XLogP2.11
TPSA29.46 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(2S)-2-[(1R)-1-iodohexyl]oxolane
CID 101448708
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
1-(oxolan-2-yl)propane-1,3-diol
CID 119055061
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
2-heptan-2-yloxane
CID 67835602

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol?
The IUPAC name of (1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol (CID 10997513) is (1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol.
What is the SMILES notation for (1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol?
The canonical SMILES for (1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol is CCCCC[C@H](O)[C@H]1CCCO1.
What is the InChIKey of (1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol?
The InChIKey is SZXJOXHALDXHPQ-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-11H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol?
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol is sourced from PubChem (CID 10997513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).