(1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol

C10H16O2 — CID 130927450

IUPAC(1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol
SMILESO[C@@H]1C[C@@H]2[C@H]3CC[C@]2(O)C[C@@H]1C3
InChIInChI=1S/C10H16O2/c11-9-4-8-6-1-2-10(8,12)5-7(9)3-6/h6-9,11-12H,1-5H2/t6-,7-,8+,9+,10-/m0/s1
InChIKeyMMKYBLGKMVGHON-OEZYJKACSA-N
MW168.24 g/mol
LogP0.92
Rot. Bonds

About (1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol

(1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol (PubChem CID 130927450) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol.

Molecular Properties

Compound Name(1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol
PubChem CID130927450
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol
SMILESO[C@@H]1C[C@@H]2[C@H]3CC[C@]2(O)C[C@@H]1C3
InChIInChI=1S/C10H16O2/c11-9-4-8-6-1-2-10(8,12)5-7(9)3-6/h6-9,11-12H,1-5H2/t6-,7-,8+,9+,10-/m0/s1
InChIKeyMMKYBLGKMVGHON-OEZYJKACSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tricyclo[4.2.1.03,7]nonan-3-ol
CID 4163021
(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
(4R,7R)-tricyclo[5.2.1.04,10]decan-1-ol
CID 94036934
8-anilinotricyclo[4.2.1.03,7]nonan-3-ol
CID 564858
1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol
CID 72700642
(1S,3S,7S,8R)-tricyclo[5.3.1.03,8]undecane-2,3-diol
CID 22215324
1-methyl-2-(6-methyl-3-bicyclo[4.2.1]nonanyl)cyclopropan-1-ol
CID 123164851
(1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol
CID 130835060
2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol
CID 130525906
(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
tricyclo[6.2.2.02,7]dodeca-3,5-dien-1-ol
CID 155121820
(1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
CID 7164520

Frequently Asked Questions

What is the IUPAC name of (1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol?
The IUPAC name of (1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol (CID 130927450) is (1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol.
What is the SMILES notation for (1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol?
The canonical SMILES for (1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol is O[C@@H]1C[C@@H]2[C@H]3CC[C@]2(O)C[C@@H]1C3.
What is the InChIKey of (1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol?
The InChIKey is MMKYBLGKMVGHON-OEZYJKACSA-N. The full InChI is InChI=1S/C10H16O2/c11-9-4-8-6-1-2-10(8,12)5-7(9)3-6/h6-9,11-12H,1-5H2/t6-,7-,8+,9+,10-/m0/s1.
What are the key properties of (1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol?
(1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol has a molecular weight of 168.24 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol is sourced from PubChem (CID 130927450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).