(3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene

C11H22O — CID 14979453

IUPAC(3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene
SMILESC=C[C@H](C)[C@H](C)COC(C)(C)C
InChIInChI=1S/C11H22O/c1-7-9(2)10(3)8-12-11(4,5)6/h7,9-10H,1,8H2,2-6H3/t9-,10+/m0/s1
InChIKeyNGIVUUMHMBCJKG-VHSXEESVSA-N
MW170.30 g/mol
LogP3.26
Rot. Bonds4

About (3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene

(3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene (PubChem CID 14979453) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene
PubChem CID14979453
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene
SMILESC=C[C@H](C)[C@H](C)COC(C)(C)C
InChIInChI=1S/C11H22O/c1-7-9(2)10(3)8-12-11(4,5)6/h7,9-10H,1,8H2,2-6H3/t9-,10+/m0/s1
InChIKeyNGIVUUMHMBCJKG-VHSXEESVSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Vinylisopropylather
CID 129888342
6-Tert-butoxyhex-1-ene
CID 15107232
6-[(2-Methylpropan-2-yl)oxy]hexa-1,2-diene
CID 10909795
4-(Methoxymethyl)undeca-1,5,6,10-tetraene
CID 12715944
4-(Butoxymethyl)octa-1,5,6-triene
CID 134982431
5-[(2-Methylpropan-2-yl)oxy]pent-1-ene
CID 12402598
3-(Ethoxymethyl)pent-1-ene
CID 12755750
(E)-4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 15032902
4-Ethoxy-4,5-bis(prop-2-enyl)octa-1,7-diene
CID 20553350
2-Ethoxy-4-methylpent-1-ene
CID 20704869
3-Methyl-4-(3-methylpent-4-en-2-yloxy)pent-1-ene
CID 22151655
5-(2-Methylpropoxy)pent-1-ene
CID 22610253

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene?
The IUPAC name of (3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene (CID 14979453) is (3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene.
What is the SMILES notation for (3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene?
The canonical SMILES for (3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene is C=C[C@H](C)[C@H](C)COC(C)(C)C.
What is the InChIKey of (3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene?
The InChIKey is NGIVUUMHMBCJKG-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22O/c1-7-9(2)10(3)8-12-11(4,5)6/h7,9-10H,1,8H2,2-6H3/t9-,10+/m0/s1.
What are the key properties of (3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene?
(3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene is sourced from PubChem (CID 14979453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).