acetic acid;tricyclo[4.4.0.02,8]decan-3-ol

C12H20O3 — CID 57368471

IUPACacetic acid;tricyclo[4.4.0.02,8]decan-3-ol
SMILESCC(=O)O.OC1CCC2CC3CCC2C13
InChIInChI=1S/C10H16O.C2H4O2/c11-9-4-2-6-5-7-1-3-8(6)10(7)9;1-2(3)4/h6-11H,1-5H2;1H3,(H,3,4)
InChIKeyLWLRYZOXOFFZMX-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.89
Rot. Bonds

About acetic acid;tricyclo[4.4.0.02,8]decan-3-ol

acetic acid;tricyclo[4.4.0.02,8]decan-3-ol (PubChem CID 57368471) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is acetic acid;tricyclo[4.4.0.02,8]decan-3-ol.

Molecular Properties

Compound Nameacetic acid;tricyclo[4.4.0.02,8]decan-3-ol
PubChem CID57368471
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameacetic acid;tricyclo[4.4.0.02,8]decan-3-ol
SMILESCC(=O)O.OC1CCC2CC3CCC2C13
InChIInChI=1S/C10H16O.C2H4O2/c11-9-4-2-6-5-7-1-3-8(6)10(7)9;1-2(3)4/h6-11H,1-5H2;1H3,(H,3,4)
InChIKeyLWLRYZOXOFFZMX-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3R,6S,7S)-tricyclo[5.2.1.02,6]decan-3-ol
CID 98561743
acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol
CID 71333510
(1S,2R,3R,5R,6S,8S,9S,11S,12R,13S)-pentacyclo[11.2.1.02,6.05,9.08,12]hexadecane-3,11-diol
CID 125035129
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
(4R)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 166987336
(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 124812816
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
acetic acid;bicyclo[2.2.0]hexane;ethane
CID 123577284
[(1S,2R,5S,6R)-2-hydroxy-6-bicyclo[3.1.1]heptanyl] acetate
CID 45091109
(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
CID 10774199
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol
CID 142978793
tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol
CID 130146424

Frequently Asked Questions

What is the IUPAC name of acetic acid;tricyclo[4.4.0.02,8]decan-3-ol?
The IUPAC name of acetic acid;tricyclo[4.4.0.02,8]decan-3-ol (CID 57368471) is acetic acid;tricyclo[4.4.0.02,8]decan-3-ol.
What is the SMILES notation for acetic acid;tricyclo[4.4.0.02,8]decan-3-ol?
The canonical SMILES for acetic acid;tricyclo[4.4.0.02,8]decan-3-ol is CC(=O)O.OC1CCC2CC3CCC2C13.
What is the InChIKey of acetic acid;tricyclo[4.4.0.02,8]decan-3-ol?
The InChIKey is LWLRYZOXOFFZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.C2H4O2/c11-9-4-2-6-5-7-1-3-8(6)10(7)9;1-2(3)4/h6-11H,1-5H2;1H3,(H,3,4).
What are the key properties of acetic acid;tricyclo[4.4.0.02,8]decan-3-ol?
acetic acid;tricyclo[4.4.0.02,8]decan-3-ol has a molecular weight of 212.29 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tricyclo[4.4.0.02,8]decan-3-ol is sourced from PubChem (CID 57368471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).