(1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol

C9H16O3 — CID 58400395

IUPAC(1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](O)C[C@H](OC)[C@H]1COC
InChIInChI=1S/C9H16O3/c1-6-7(5-11-2)9(12-3)4-8(6)10/h7-10H,1,4-5H2,2-3H3/t7-,8+,9-/m0/s1
InChIKeyBBUNMHKGOWNIHM-YIZRAAEISA-N
MW172.22 g/mol
LogP0.58
Rot. Bonds3

About (1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol

(1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol (PubChem CID 58400395) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol
PubChem CID58400395
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](O)C[C@H](OC)[C@H]1COC
InChIInChI=1S/C9H16O3/c1-6-7(5-11-2)9(12-3)4-8(6)10/h7-10H,1,4-5H2,2-3H3/t7-,8+,9-/m0/s1
InChIKeyBBUNMHKGOWNIHM-YIZRAAEISA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol?
The IUPAC name of (1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol (CID 58400395) is (1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol.
What is the SMILES notation for (1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol?
The canonical SMILES for (1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol is C=C1[C@H](O)C[C@H](OC)[C@H]1COC.
What is the InChIKey of (1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol?
The InChIKey is BBUNMHKGOWNIHM-YIZRAAEISA-N. The full InChI is InChI=1S/C9H16O3/c1-6-7(5-11-2)9(12-3)4-8(6)10/h7-10H,1,4-5H2,2-3H3/t7-,8+,9-/m0/s1.
What are the key properties of (1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol?
(1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol has a molecular weight of 172.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol is sourced from PubChem (CID 58400395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).