(4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene

C11H22O — CID 58379718

IUPAC(4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene
SMILESC=CC(C)(C)[C@@H](OC)C(C)(C)C
InChIInChI=1S/C11H22O/c1-8-11(5,6)9(12-7)10(2,3)4/h8-9H,1H2,2-7H3/t9-/m0/s1
InChIKeyXMUXNTGISVTEAJ-VIFPVBQESA-N
MW170.30 g/mol
LogP3.26
Rot. Bonds3

About (4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene

(4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene (PubChem CID 58379718) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene.

Molecular Properties

Compound Name(4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene
PubChem CID58379718
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene
SMILESC=CC(C)(C)[C@@H](OC)C(C)(C)C
InChIInChI=1S/C11H22O/c1-8-11(5,6)9(12-7)10(2,3)4/h8-9H,1H2,2-7H3/t9-/m0/s1
InChIKeyXMUXNTGISVTEAJ-VIFPVBQESA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

(E)-5-methoxy-6,6-dimethylhept-2-ene
CID 134995972
(3S)-4,4-dimethylhex-5-en-3-ol
CID 11506455
(3S)-2,2,4,4-tetramethylhex-5-en-3-ol
CID 11550051
4-Methoxy-5-methylhex-1-ene
CID 11672669
4,4-Dimethylhex-5-en-3-ol
CID 11768590
(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene
CID 15306452
4,6-Dimethoxy-5,5-dimethylhex-1-ene
CID 19985372
4-Methoxy-3,3,5-trimethylhex-1-ene
CID 23385076
4-(2,2-Dimethylhex-5-en-3-ylperoxy)-5,5-dimethylhex-1-ene
CID 53684409
5-Ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene
CID 56639398
(3R)-2,3-diethyl-3-methyl-2H-furan
CID 58226903
2,3-diethyl-3-methyl-2H-furan
CID 58226941

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene?
The IUPAC name of (4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene (CID 58379718) is (4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene.
What is the SMILES notation for (4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene?
The canonical SMILES for (4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene is C=CC(C)(C)[C@@H](OC)C(C)(C)C.
What is the InChIKey of (4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene?
The InChIKey is XMUXNTGISVTEAJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22O/c1-8-11(5,6)9(12-7)10(2,3)4/h8-9H,1H2,2-7H3/t9-/m0/s1.
What are the key properties of (4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene?
(4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene is sourced from PubChem (CID 58379718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).