3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol

C11H18O2 — CID 173147440

IUPAC3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol
SMILESCOC(C)(C1=CC=CC1)C(C)(C)O
InChIInChI=1S/C11H18O2/c1-10(2,12)11(3,13-4)9-7-5-6-8-9/h5-7,12H,8H2,1-4H3
InChIKeyWVJSBEYFJCCXQZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds3

About 3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol

3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol (PubChem CID 173147440) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol
PubChem CID173147440
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol
SMILESCOC(C)(C1=CC=CC1)C(C)(C)O
InChIInChI=1S/C11H18O2/c1-10(2,12)11(3,13-4)9-7-5-6-8-9/h5-7,12H,8H2,1-4H3
InChIKeyWVJSBEYFJCCXQZ-UHFFFAOYSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol?
The IUPAC name of 3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol (CID 173147440) is 3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol is COC(C)(C1=CC=CC1)C(C)(C)O.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol?
The InChIKey is WVJSBEYFJCCXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2,12)11(3,13-4)9-7-5-6-8-9/h5-7,12H,8H2,1-4H3.
What are the key properties of 3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol?
3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol has a molecular weight of 182.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 173147440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).