1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol

C11H20O2 — CID 104610434

IUPAC1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1(OC)CCCC1
InChIInChI=1S/C11H20O2/c1-9(2)8-10(12)11(13-3)6-4-5-7-11/h10,12H,1,4-8H2,2-3H3
InChIKeyIDKPTINGKVJXSM-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds4

About 1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol

1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol (PubChem CID 104610434) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol
PubChem CID104610434
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1(OC)CCCC1
InChIInChI=1S/C11H20O2/c1-9(2)8-10(12)11(13-3)6-4-5-7-11/h10,12H,1,4-8H2,2-3H3
InChIKeyIDKPTINGKVJXSM-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol?
The IUPAC name of 1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol (CID 104610434) is 1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol?
The canonical SMILES for 1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol is C=C(C)CC(O)C1(OC)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol?
The InChIKey is IDKPTINGKVJXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)8-10(12)11(13-3)6-4-5-7-11/h10,12H,1,4-8H2,2-3H3.
What are the key properties of 1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol?
1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol is sourced from PubChem (CID 104610434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).