(1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol

C11H20O — CID 89290170

IUPAC(1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol
SMILESC=C(CC)C1C[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C11H20O/c1-5-7(2)10-6-8(3)11(12)9(10)4/h8-12H,2,5-6H2,1,3-4H3/t8-,9-,10?,11-/m0/s1
InChIKeySVSDGVMYGNRVMK-VKRYWUJJSA-N
MW168.28 g/mol
LogP2.61
Rot. Bonds2

About (1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol

(1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol (PubChem CID 89290170) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol
PubChem CID89290170
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol
SMILESC=C(CC)C1C[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C11H20O/c1-5-7(2)10-6-8(3)11(12)9(10)4/h8-12H,2,5-6H2,1,3-4H3/t8-,9-,10?,11-/m0/s1
InChIKeySVSDGVMYGNRVMK-VKRYWUJJSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol?
The IUPAC name of (1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol (CID 89290170) is (1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol is C=C(CC)C1C[C@H](C)[C@H](O)[C@H]1C.
What is the InChIKey of (1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol?
The InChIKey is SVSDGVMYGNRVMK-VKRYWUJJSA-N. The full InChI is InChI=1S/C11H20O/c1-5-7(2)10-6-8(3)11(12)9(10)4/h8-12H,2,5-6H2,1,3-4H3/t8-,9-,10?,11-/m0/s1.
What are the key properties of (1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol?
(1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-3-but-1-en-2-yl-2,5-dimethylcyclopentan-1-ol is sourced from PubChem (CID 89290170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).