6-(3-methylbutan-2-yloxy)hex-1-ene

C11H22O — CID 123623641

IUPAC6-(3-methylbutan-2-yloxy)hex-1-ene
SMILESC=CCCCCOC(C)C(C)C
InChIInChI=1S/C11H22O/c1-5-6-7-8-9-12-11(4)10(2)3/h5,10-11H,1,6-9H2,2-4H3
InChIKeyNAUQLCKWFIKYRS-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.40
Rot. Bonds7

About 6-(3-methylbutan-2-yloxy)hex-1-ene

6-(3-methylbutan-2-yloxy)hex-1-ene (PubChem CID 123623641) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 6-(3-methylbutan-2-yloxy)hex-1-ene.

Molecular Properties

Compound Name6-(3-methylbutan-2-yloxy)hex-1-ene
PubChem CID123623641
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name6-(3-methylbutan-2-yloxy)hex-1-ene
SMILESC=CCCCCOC(C)C(C)C
InChIInChI=1S/C11H22O/c1-5-6-7-8-9-12-11(4)10(2)3/h5,10-11H,1,6-9H2,2-4H3
InChIKeyNAUQLCKWFIKYRS-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

11-(1-ethoxyethoxy)undec-1-ene
CID 10900817
9-(2-non-8-enoxypropoxy)non-1-ene
CID 168985455
(2R)-2-hept-6-enoxypropanoic acid
CID 107005963
3-(3-methylbutan-2-yloxy)propan-1-ol
CID 58556710
12-dodec-11-enoxydodec-1-ene
CID 87325659
oct-7-enyl 2-methylpropanoate
CID 87633860
1-chloro-4-(1-non-8-enoxyethyl)benzene
CID 155664436
hex-5-enoxysilane
CID 123933799
12-propan-2-yltricosa-1,22-diene
CID 102161324
CID 22229034
CID 22229034
sodium;hydride;undec-10-enyl (2S)-2-amino-3-methylbutanoate
CID 173314376
2-pent-4-enoxypentan-3-one
CID 79112811

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-yloxy)hex-1-ene?
The IUPAC name of 6-(3-methylbutan-2-yloxy)hex-1-ene (CID 123623641) is 6-(3-methylbutan-2-yloxy)hex-1-ene.
What is the SMILES notation for 6-(3-methylbutan-2-yloxy)hex-1-ene?
The canonical SMILES for 6-(3-methylbutan-2-yloxy)hex-1-ene is C=CCCCCOC(C)C(C)C.
What is the InChIKey of 6-(3-methylbutan-2-yloxy)hex-1-ene?
The InChIKey is NAUQLCKWFIKYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-6-7-8-9-12-11(4)10(2)3/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 6-(3-methylbutan-2-yloxy)hex-1-ene?
6-(3-methylbutan-2-yloxy)hex-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-yloxy)hex-1-ene is sourced from PubChem (CID 123623641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).