(1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol

C14H22O3 — CID 40507554

IUPAC(1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol
SMILESO[C@]12CCCC[C@]13CC[C@H]1CCCC[C@]1(O3)O2
InChIInChI=1S/C14H22O3/c15-14-9-4-3-7-12(14)10-6-11-5-1-2-8-13(11,16-12)17-14/h11,15H,1-10H2/t11-,12+,13+,14+/m1/s1
InChIKeyUMKPCRWEPQJTQJ-RFGFWPKPSA-N
MW238.33 g/mol
LogP2.71
Rot. Bonds

About (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol

(1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol (PubChem CID 40507554) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol.

Molecular Properties

Compound Name(1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol
PubChem CID40507554
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol
SMILESO[C@]12CCCC[C@]13CC[C@H]1CCCC[C@]1(O3)O2
InChIInChI=1S/C14H22O3/c15-14-9-4-3-7-12(14)10-6-11-5-1-2-8-13(11,16-12)17-14/h11,15H,1-10H2/t11-,12+,13+,14+/m1/s1
InChIKeyUMKPCRWEPQJTQJ-RFGFWPKPSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol with MolForge

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Related Compounds

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CID 98064522
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CID 129445496
7-oxabicyclo[4.1.0]heptan-1-ol
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(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol
CID 6936934
2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol chloride
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Frequently Asked Questions

What is the IUPAC name of (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol?
The IUPAC name of (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol (CID 40507554) is (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol.
What is the SMILES notation for (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol?
The canonical SMILES for (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol is O[C@]12CCCC[C@]13CC[C@H]1CCCC[C@]1(O3)O2.
What is the InChIKey of (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol?
The InChIKey is UMKPCRWEPQJTQJ-RFGFWPKPSA-N. The full InChI is InChI=1S/C14H22O3/c15-14-9-4-3-7-12(14)10-6-11-5-1-2-8-13(11,16-12)17-14/h11,15H,1-10H2/t11-,12+,13+,14+/m1/s1.
What are the key properties of (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol?
(1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol has a molecular weight of 238.33 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,9S,11S)-10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol is sourced from PubChem (CID 40507554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).