(1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol

C9H14O — CID 10011966

IUPAC(1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol
SMILESCC1(O)[C@@H]2C[C@@H]2C[C@@H]2C[C@@H]21
InChIInChI=1S/C9H14O/c1-9(10)7-3-5(7)2-6-4-8(6)9/h5-8,10H,2-4H2,1H3/t5-,6+,7+,8-,9?
InChIKeyIBDRUMVVBXCOGV-ASJMJZICSA-N
MW138.21 g/mol
LogP1.41
Rot. Bonds

About (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol

(1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol (PubChem CID 10011966) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol.

Molecular Properties

Compound Name(1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol
PubChem CID10011966
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol
SMILESCC1(O)[C@@H]2C[C@@H]2C[C@@H]2C[C@@H]21
InChIInChI=1S/C9H14O/c1-9(10)7-3-5(7)2-6-4-8(6)9/h5-8,10H,2-4H2,1H3/t5-,6+,7+,8-,9?
InChIKeyIBDRUMVVBXCOGV-ASJMJZICSA-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

Analyze (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol with MolForge

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Related Compounds

2-methylbicyclo[1.1.0]butan-2-ol
CID 123776938
(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
(4S)-4-methyltricyclo[4.3.1.03,8]decan-4-ol
CID 135037653
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
(6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol
CID 139312497
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
(1S,3S,4S,6R)-3-methylbicyclo[4.1.0]heptane-3,4-diol
CID 23260997
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol
CID 57351268
(1S,3S,4S,6R)-4-chloro-3-methylbicyclo[4.1.0]heptan-3-ol
CID 23268670
7-methylbicyclo[2.2.1]heptane-2,7-diol
CID 130146915

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol?
The IUPAC name of (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol (CID 10011966) is (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol.
What is the SMILES notation for (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol?
The canonical SMILES for (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol is CC1(O)[C@@H]2C[C@@H]2C[C@@H]2C[C@@H]21.
What is the InChIKey of (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol?
The InChIKey is IBDRUMVVBXCOGV-ASJMJZICSA-N. The full InChI is InChI=1S/C9H14O/c1-9(10)7-3-5(7)2-6-4-8(6)9/h5-8,10H,2-4H2,1H3/t5-,6+,7+,8-,9?.
What are the key properties of (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol?
(1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-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 (1R,3S,5R,7S)-2-methyltricyclo[5.1.0.03,5]octan-2-ol is sourced from PubChem (CID 10011966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).