trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol

C17H34O2 — CID 163651944

IUPACtrans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol
SMILESCC(O)CCC[C@H](C)C(C)CC[C@H]1CC[C@@](C)(O)C1
InChIInChI=1S/C17H34O2/c1-13(6-5-7-15(3)18)14(2)8-9-16-10-11-17(4,19)12-16/h13-16,18-19H,5-12H2,1-4H3/t13-,14?,15?,16-,17+/m0/s1
InChIKeyIMYLQOXFBNBYIL-BFHKSVSOSA-N
MW270.46 g/mol
LogP4.14
Rot. Bonds8

About trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol

trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol (PubChem CID 163651944) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol
PubChem CID163651944
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Nametrans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol
SMILESCC(O)CCC[C@H](C)C(C)CC[C@H]1CC[C@@](C)(O)C1
InChIInChI=1S/C17H34O2/c1-13(6-5-7-15(3)18)14(2)8-9-16-10-11-17(4,19)12-16/h13-16,18-19H,5-12H2,1-4H3/t13-,14?,15?,16-,17+/m0/s1
InChIKeyIMYLQOXFBNBYIL-BFHKSVSOSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol?
The IUPAC name of trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol (CID 163651944) is trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol is CC(O)CCC[C@H](C)C(C)CC[C@H]1CC[C@@](C)(O)C1.
What is the InChIKey of trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol?
The InChIKey is IMYLQOXFBNBYIL-BFHKSVSOSA-N. The full InChI is InChI=1S/C17H34O2/c1-13(6-5-7-15(3)18)14(2)8-9-16-10-11-17(4,19)12-16/h13-16,18-19H,5-12H2,1-4H3/t13-,14?,15?,16-,17+/m0/s1.
What are the key properties of trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol?
trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-3-[(4S)-8-hydroxy-3,4-dimethylnonyl]-1-methylcyclopentan-1-ol is sourced from PubChem (CID 163651944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).