cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol

C8H14O — CID 131103793

IUPACcis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol
SMILESC=C1CC[C@@H](O)[C@@H]1CC
InChIInChI=1S/C8H14O/c1-3-7-6(2)4-5-8(7)9/h7-9H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyDQHGGXGSDAISCH-HTQZYQBOSA-N
MW126.20 g/mol
LogP1.72
Rot. Bonds1

About cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol

cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol (PubChem CID 131103793) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol
PubChem CID131103793
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Namecis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol
SMILESC=C1CC[C@@H](O)[C@@H]1CC
InChIInChI=1S/C8H14O/c1-3-7-6(2)4-5-8(7)9/h7-9H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyDQHGGXGSDAISCH-HTQZYQBOSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.72
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 cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol (CID 131103793) is cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol is C=C1CC[C@@H](O)[C@@H]1CC.
What is the InChIKey of cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol?
The InChIKey is DQHGGXGSDAISCH-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O/c1-3-7-6(2)4-5-8(7)9/h7-9H,2-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol?
cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 131103793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).