(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol

C9H14O — CID 12649513

IUPAC(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol
SMILESO[C@H]1CC2CC3CC2[C@H]1C3
InChIInChI=1S/C9H14O/c10-9-4-6-1-5-2-7(6)8(9)3-5/h5-10H,1-4H2/t5?,6?,7?,8-,9+/m1/s1
InChIKeyZLVXOGJCUQABGP-DVIOUDORSA-N
MW138.21 g/mol
LogP1.41
Rot. Bonds

About (3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol

(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol (PubChem CID 12649513) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol.

Molecular Properties

Compound Name(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol
PubChem CID12649513
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol
SMILESO[C@H]1CC2CC3CC2[C@H]1C3
InChIInChI=1S/C9H14O/c10-9-4-6-1-5-2-7(6)8(9)3-5/h5-10H,1-4H2/t5?,6?,7?,8-,9+/m1/s1
InChIKeyZLVXOGJCUQABGP-DVIOUDORSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol?
The IUPAC name of (3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol (CID 12649513) is (3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol.
What is the SMILES notation for (3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol?
The canonical SMILES for (3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol is O[C@H]1CC2CC3CC2[C@H]1C3.
What is the InChIKey of (3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol?
The InChIKey is ZLVXOGJCUQABGP-DVIOUDORSA-N. The full InChI is InChI=1S/C9H14O/c10-9-4-6-1-5-2-7(6)8(9)3-5/h5-10H,1-4H2/t5?,6?,7?,8-,9+/m1/s1.
What are the key properties of (3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol?
(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol has a molecular weight of 138.21 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol is sourced from PubChem (CID 12649513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).