(4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene

C9H18O2 — CID 91480375

IUPAC(4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene
SMILESCC=C[C@H](C)OC(C)(C)OC
InChIInChI=1S/C9H18O2/c1-6-7-8(2)11-9(3,4)10-5/h6-8H,1-5H3/t8-/m0/s1
InChIKeyBVVZLQOFHSUNJN-QMMMGPOBSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds4

About (4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene

(4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene (PubChem CID 91480375) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene.

Molecular Properties

Compound Name(4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene
PubChem CID91480375
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene
SMILESCC=C[C@H](C)OC(C)(C)OC
InChIInChI=1S/C9H18O2/c1-6-7-8(2)11-9(3,4)10-5/h6-8H,1-5H3/t8-/m0/s1
InChIKeyBVVZLQOFHSUNJN-QMMMGPOBSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene?
The IUPAC name of (4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene (CID 91480375) is (4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene.
What is the SMILES notation for (4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene?
The canonical SMILES for (4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene is CC=C[C@H](C)OC(C)(C)OC.
What is the InChIKey of (4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene?
The InChIKey is BVVZLQOFHSUNJN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18O2/c1-6-7-8(2)11-9(3,4)10-5/h6-8H,1-5H3/t8-/m0/s1.
What are the key properties of (4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene?
(4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene has a molecular weight of 158.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methoxypropan-2-yloxy)pent-2-ene is sourced from PubChem (CID 91480375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).