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

C11H20O4 — CID 163562469

IUPACcis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](O)C[C@H](OC)C1(COC)COC
InChIInChI=1S/C11H20O4/c1-8-9(12)5-10(15-4)11(8,6-13-2)7-14-3/h9-10,12H,1,5-7H2,2-4H3/t9-,10+/m1/s1
InChIKeyNDVHSJWOTNSIOZ-ZJUUUORDSA-N
MW216.28 g/mol
LogP0.60
Rot. Bonds5

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

cis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol (PubChem CID 163562469) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is cis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol
PubChem CID163562469
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namecis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](O)C[C@H](OC)C1(COC)COC
InChIInChI=1S/C11H20O4/c1-8-9(12)5-10(15-4)11(8,6-13-2)7-14-3/h9-10,12H,1,5-7H2,2-4H3/t9-,10+/m1/s1
InChIKeyNDVHSJWOTNSIOZ-ZJUUUORDSA-N
XLogP0.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol?
The IUPAC name of cis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol (CID 163562469) is cis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol.
What is the SMILES notation for cis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol?
The canonical SMILES for cis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol is C=C1[C@H](O)C[C@H](OC)C1(COC)COC.
What is the InChIKey of cis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol?
The InChIKey is NDVHSJWOTNSIOZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20O4/c1-8-9(12)5-10(15-4)11(8,6-13-2)7-14-3/h9-10,12H,1,5-7H2,2-4H3/t9-,10+/m1/s1.
What are the key properties of cis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol?
cis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4S)-4-methoxy-3,3-bis(methoxymethyl)-2-methylidenecyclopentan-1-ol is sourced from PubChem (CID 163562469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).