(4R)-4-methoxy-4,5,5-trimethylhept-1-ene

C11H22O — CID 59911344

IUPAC(4R)-4-methoxy-4,5,5-trimethylhept-1-ene
SMILESC=CC[C@@](C)(OC)C(C)(C)CC
InChIInChI=1S/C11H22O/c1-7-9-11(5,12-6)10(3,4)8-2/h7H,1,8-9H2,2-6H3/t11-/m1/s1
InChIKeyKWEIRYJECQEAOO-LLVKDONJSA-N
MW170.30 g/mol
LogP3.40
Rot. Bonds5

About (4R)-4-methoxy-4,5,5-trimethylhept-1-ene

(4R)-4-methoxy-4,5,5-trimethylhept-1-ene (PubChem CID 59911344) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (4R)-4-methoxy-4,5,5-trimethylhept-1-ene.

Molecular Properties

Compound Name(4R)-4-methoxy-4,5,5-trimethylhept-1-ene
PubChem CID59911344
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(4R)-4-methoxy-4,5,5-trimethylhept-1-ene
SMILESC=CC[C@@](C)(OC)C(C)(C)CC
InChIInChI=1S/C11H22O/c1-7-9-11(5,12-6)10(3,4)8-2/h7H,1,8-9H2,2-6H3/t11-/m1/s1
InChIKeyKWEIRYJECQEAOO-LLVKDONJSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4R)-4-methoxy-4,5,5-trimethylhept-1-ene?
The IUPAC name of (4R)-4-methoxy-4,5,5-trimethylhept-1-ene (CID 59911344) is (4R)-4-methoxy-4,5,5-trimethylhept-1-ene.
What is the SMILES notation for (4R)-4-methoxy-4,5,5-trimethylhept-1-ene?
The canonical SMILES for (4R)-4-methoxy-4,5,5-trimethylhept-1-ene is C=CC[C@@](C)(OC)C(C)(C)CC.
What is the InChIKey of (4R)-4-methoxy-4,5,5-trimethylhept-1-ene?
The InChIKey is KWEIRYJECQEAOO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22O/c1-7-9-11(5,12-6)10(3,4)8-2/h7H,1,8-9H2,2-6H3/t11-/m1/s1.
What are the key properties of (4R)-4-methoxy-4,5,5-trimethylhept-1-ene?
(4R)-4-methoxy-4,5,5-trimethylhept-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxy-4,5,5-trimethylhept-1-ene is sourced from PubChem (CID 59911344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).