(Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol

C11H20O2 — CID 142856849

IUPAC(Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol
SMILESC/C=C(\OC(C)C)C(O)C1(C)CC1
InChIInChI=1S/C11H20O2/c1-5-9(13-8(2)3)10(12)11(4)6-7-11/h5,8,10,12H,6-7H2,1-4H3/b9-5-
InChIKeyVSFNIFWPNDDESQ-UITAMQMPSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds4

About (Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol

(Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol (PubChem CID 142856849) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol
PubChem CID142856849
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol
SMILESC/C=C(\OC(C)C)C(O)C1(C)CC1
InChIInChI=1S/C11H20O2/c1-5-9(13-8(2)3)10(12)11(4)6-7-11/h5,8,10,12H,6-7H2,1-4H3/b9-5-
InChIKeyVSFNIFWPNDDESQ-UITAMQMPSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol?
The IUPAC name of (Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol (CID 142856849) is (Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol.
What is the SMILES notation for (Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol?
The canonical SMILES for (Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol is C/C=C(\OC(C)C)C(O)C1(C)CC1.
What is the InChIKey of (Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol?
The InChIKey is VSFNIFWPNDDESQ-UITAMQMPSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-9(13-8(2)3)10(12)11(4)6-7-11/h5,8,10,12H,6-7H2,1-4H3/b9-5-.
What are the key properties of (Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol?
(Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-methylcyclopropyl)-2-propan-2-yloxybut-2-en-1-ol is sourced from PubChem (CID 142856849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).