(1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol

C9H14O — CID 134976116

IUPAC(1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol
SMILESC[C@H]1[C@H]2C[C@@H]3C[C@H]2[C@H](O)[C@H]31
InChIInChI=1S/C9H14O/c1-4-6-2-5-3-7(6)9(10)8(4)5/h4-10H,2-3H2,1H3/t4-,5+,6+,7+,8-,9-/m0/s1
InChIKeyFTNIIDINIXZBHM-YQWDKWCMSA-N
MW138.21 g/mol
LogP1.27
Rot. Bonds

About (1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol

(1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol (PubChem CID 134976116) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol.

Molecular Properties

Compound Name(1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol
PubChem CID134976116
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol
SMILESC[C@H]1[C@H]2C[C@@H]3C[C@H]2[C@H](O)[C@H]31
InChIInChI=1S/C9H14O/c1-4-6-2-5-3-7(6)9(10)8(4)5/h4-10H,2-3H2,1H3/t4-,5+,6+,7+,8-,9-/m0/s1
InChIKeyFTNIIDINIXZBHM-YQWDKWCMSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol?
The IUPAC name of (1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol (CID 134976116) is (1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol.
What is the SMILES notation for (1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol?
The canonical SMILES for (1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol is C[C@H]1[C@H]2C[C@@H]3C[C@H]2[C@H](O)[C@H]31.
What is the InChIKey of (1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol?
The InChIKey is FTNIIDINIXZBHM-YQWDKWCMSA-N. The full InChI is InChI=1S/C9H14O/c1-4-6-2-5-3-7(6)9(10)8(4)5/h4-10H,2-3H2,1H3/t4-,5+,6+,7+,8-,9-/m0/s1.
What are the key properties of (1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol?
(1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol has a molecular weight of 138.21 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S,5R,7R)-4-methyltricyclo[3.3.0.03,7]octan-2-ol is sourced from PubChem (CID 134976116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).