(4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol

C9H16O3 — CID 53483518

IUPAC(4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol
SMILESCOCO[C@H]1C=CC(O)C1(C)C
InChIInChI=1S/C9H16O3/c1-9(2)7(10)4-5-8(9)12-6-11-3/h4-5,7-8,10H,6H2,1-3H3/t7?,8-/m0/s1
InChIKeyJFHUZCMUFLJKCF-MQWKRIRWSA-N
MW172.22 g/mol
LogP0.93
Rot. Bonds3

About (4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol

(4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol (PubChem CID 53483518) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol
PubChem CID53483518
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol
SMILESCOCO[C@H]1C=CC(O)C1(C)C
InChIInChI=1S/C9H16O3/c1-9(2)7(10)4-5-8(9)12-6-11-3/h4-5,7-8,10H,6H2,1-3H3/t7?,8-/m0/s1
InChIKeyJFHUZCMUFLJKCF-MQWKRIRWSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol?
The IUPAC name of (4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol (CID 53483518) is (4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol.
What is the SMILES notation for (4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol?
The canonical SMILES for (4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol is COCO[C@H]1C=CC(O)C1(C)C.
What is the InChIKey of (4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol?
The InChIKey is JFHUZCMUFLJKCF-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(2)7(10)4-5-8(9)12-6-11-3/h4-5,7-8,10H,6H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of (4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol?
(4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol has a molecular weight of 172.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol is sourced from PubChem (CID 53483518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).