3-methyl-5-propan-2-yloxypent-1-en-3-ol

C9H18O2 — CID 23263480

IUPAC3-methyl-5-propan-2-yloxypent-1-en-3-ol
SMILESC=CC(C)(O)CCOC(C)C
InChIInChI=1S/C9H18O2/c1-5-9(4,10)6-7-11-8(2)3/h5,8,10H,1,6-7H2,2-4H3
InChIKeyMSFDFJJNHDVPOI-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.74
Rot. Bonds5

About 3-methyl-5-propan-2-yloxypent-1-en-3-ol

3-methyl-5-propan-2-yloxypent-1-en-3-ol (PubChem CID 23263480) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yloxypent-1-en-3-ol.

Molecular Properties

Compound Name3-methyl-5-propan-2-yloxypent-1-en-3-ol
PubChem CID23263480
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-methyl-5-propan-2-yloxypent-1-en-3-ol
SMILESC=CC(C)(O)CCOC(C)C
InChIInChI=1S/C9H18O2/c1-5-9(4,10)6-7-11-8(2)3/h5,8,10H,1,6-7H2,2-4H3
InChIKeyMSFDFJJNHDVPOI-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.74
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 3-methyl-5-propan-2-yloxypent-1-en-3-ol?
The IUPAC name of 3-methyl-5-propan-2-yloxypent-1-en-3-ol (CID 23263480) is 3-methyl-5-propan-2-yloxypent-1-en-3-ol.
What is the SMILES notation for 3-methyl-5-propan-2-yloxypent-1-en-3-ol?
The canonical SMILES for 3-methyl-5-propan-2-yloxypent-1-en-3-ol is C=CC(C)(O)CCOC(C)C.
What is the InChIKey of 3-methyl-5-propan-2-yloxypent-1-en-3-ol?
The InChIKey is MSFDFJJNHDVPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-9(4,10)6-7-11-8(2)3/h5,8,10H,1,6-7H2,2-4H3.
What are the key properties of 3-methyl-5-propan-2-yloxypent-1-en-3-ol?
3-methyl-5-propan-2-yloxypent-1-en-3-ol has a molecular weight of 158.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yloxypent-1-en-3-ol is sourced from PubChem (CID 23263480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).