(1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol

C10H16O3 — CID 71449448

IUPAC(1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
SMILESC[C@H]1[C@H]2OC[C@@H]3[C@@H]1C[C@H](O)[C@@]3(C)O2
InChIInChI=1S/C10H16O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h5-9,11H,3-4H2,1-2H3/t5-,6-,7-,8+,9+,10+/m1/s1
InChIKeyBYWPUNIXQZJWRS-AIGBEWNKSA-N
MW184.23 g/mol
LogP0.76
Rot. Bonds

About (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol

(1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol (PubChem CID 71449448) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol.

Molecular Properties

Compound Name(1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
PubChem CID71449448
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
SMILESC[C@H]1[C@H]2OC[C@@H]3[C@@H]1C[C@H](O)[C@@]3(C)O2
InChIInChI=1S/C10H16O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h5-9,11H,3-4H2,1-2H3/t5-,6-,7-,8+,9+,10+/m1/s1
InChIKeyBYWPUNIXQZJWRS-AIGBEWNKSA-N
XLogP0.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol with MolForge

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Related Compounds

NCGC00385391-01_C21H38O10_2-[2,3,8-Trihydroxy-8-(hydroxymethyl)-3-methyldecahydro-5-azulenyl]-2-propanyl beta-D-glucopyranoside
CID 14507477
Jatamanin C
CID 46886737
(1S,2S,4S,5S,6R,10R)-10-ethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
CID 16082032
Methylscutelloside
CID 54586746
Patriridoside F
CID 71454805
(1S,3S,4S,6S,7S,10R)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
CID 71456580
Adenosmoside
CID 71716364
(1S,2S,4S,5S,6R,8S,10S)-2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
CID 14486934
Npfgzjdrjcohks-lgarrycisa-
CID 21672441
(2S,4S,5S,10R)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decane-5,10-diol
CID 101706271
2-(Hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
CID 14486933
kankanoside N
CID 49788110

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol?
The IUPAC name of (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol (CID 71449448) is (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol.
What is the SMILES notation for (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol?
The canonical SMILES for (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol is C[C@H]1[C@H]2OC[C@@H]3[C@@H]1C[C@H](O)[C@@]3(C)O2.
What is the InChIKey of (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol?
The InChIKey is BYWPUNIXQZJWRS-AIGBEWNKSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h5-9,11H,3-4H2,1-2H3/t5-,6-,7-,8+,9+,10+/m1/s1.
What are the key properties of (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol?
(1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol has a molecular weight of 184.23 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol is sourced from PubChem (CID 71449448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).