(3S)-3-(oxan-2-yloxy)hexan-1-ol

C11H22O3 — CID 67829431

IUPAC(3S)-3-(oxan-2-yloxy)hexan-1-ol
SMILESCCC[C@@H](CCO)OC1CCCCO1
InChIInChI=1S/C11H22O3/c1-2-5-10(7-8-12)14-11-6-3-4-9-13-11/h10-12H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyYBDAPTJKDDQYIG-VUWPPUDQSA-N
MW202.29 g/mol
LogP2.08
Rot. Bonds6

About (3S)-3-(oxan-2-yloxy)hexan-1-ol

(3S)-3-(oxan-2-yloxy)hexan-1-ol (PubChem CID 67829431) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (3S)-3-(oxan-2-yloxy)hexan-1-ol.

Molecular Properties

Compound Name(3S)-3-(oxan-2-yloxy)hexan-1-ol
PubChem CID67829431
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(3S)-3-(oxan-2-yloxy)hexan-1-ol
SMILESCCC[C@@H](CCO)OC1CCCCO1
InChIInChI=1S/C11H22O3/c1-2-5-10(7-8-12)14-11-6-3-4-9-13-11/h10-12H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyYBDAPTJKDDQYIG-VUWPPUDQSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-chloro-3-(oxan-2-yloxy)butan-1-ol
CID 122365358
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966
(Z)-6-(oxan-2-yloxy)non-2-enoic acid
CID 101108345
(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
3-[5-hydroxy-3-(oxan-2-yloxy)-2-[3-(oxan-2-yloxy)hexyl]cyclopentyl]propane-1,2-diol
CID 21057340
(7R)-7-methyl-10-(oxan-2-yloxy)henicosan-8-ol
CID 70401904
(5S)-7-hydroxy-4,4-dimethyl-5-(oxan-2-yloxy)heptan-3-one
CID 57239627
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
3-(oxan-2-yloxy)-4-propoxybutan-1-amine
CID 23468125
2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane
CID 11184433
2-butan-2-yloxyoxane
CID 559028

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(oxan-2-yloxy)hexan-1-ol?
The IUPAC name of (3S)-3-(oxan-2-yloxy)hexan-1-ol (CID 67829431) is (3S)-3-(oxan-2-yloxy)hexan-1-ol.
What is the SMILES notation for (3S)-3-(oxan-2-yloxy)hexan-1-ol?
The canonical SMILES for (3S)-3-(oxan-2-yloxy)hexan-1-ol is CCC[C@@H](CCO)OC1CCCCO1.
What is the InChIKey of (3S)-3-(oxan-2-yloxy)hexan-1-ol?
The InChIKey is YBDAPTJKDDQYIG-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-5-10(7-8-12)14-11-6-3-4-9-13-11/h10-12H,2-9H2,1H3/t10-,11?/m0/s1.
What are the key properties of (3S)-3-(oxan-2-yloxy)hexan-1-ol?
(3S)-3-(oxan-2-yloxy)hexan-1-ol has a molecular weight of 202.29 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(oxan-2-yloxy)hexan-1-ol is sourced from PubChem (CID 67829431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).