(3-methoxy-4,4-dimethylhex-5-enyl)benzene

C15H22O — CID 13449105

IUPAC(3-methoxy-4,4-dimethylhex-5-enyl)benzene
SMILESC=CC(C)(C)C(CCc1ccccc1)OC
InChIInChI=1S/C15H22O/c1-5-15(2,3)14(16-4)12-11-13-9-7-6-8-10-13/h5-10,14H,1,11-12H2,2-4H3
InChIKeyYCBUFSISBONGCQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.85
Rot. Bonds6

About (3-methoxy-4,4-dimethylhex-5-enyl)benzene

(3-methoxy-4,4-dimethylhex-5-enyl)benzene (PubChem CID 13449105) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (3-methoxy-4,4-dimethylhex-5-enyl)benzene.

Molecular Properties

Compound Name(3-methoxy-4,4-dimethylhex-5-enyl)benzene
PubChem CID13449105
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(3-methoxy-4,4-dimethylhex-5-enyl)benzene
SMILESC=CC(C)(C)C(CCc1ccccc1)OC
InChIInChI=1S/C15H22O/c1-5-15(2,3)14(16-4)12-11-13-9-7-6-8-10-13/h5-10,14H,1,11-12H2,2-4H3
InChIKeyYCBUFSISBONGCQ-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.85
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

methyl (2S)-2-[[(3R)-4,4-dimethyl-1-phenylhex-5-en-3-yl]amino]-2-phenylacetate
CID 11291095
(S)-N-[(3S)-4,4-dimethyl-1-phenylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 46946716
dimethyl 2-methyl-2-(5-phenylpent-1-en-3-yl)propanedioate
CID 23661395
ethene;3-methylbutylbenzene
CID 145421013
N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide
CID 101142591
(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968
3-methoxyhex-4-enylbenzene
CID 71364959
CID 177145780
CID 177145780
[(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene
CID 102383332
(2R,3S)-4,4-dimethyl-3-phenylmethoxyhex-5-ene-1,2-diol
CID 165415763
3,3-dimethyldodec-1-en-4-yloxybenzene
CID 158926907
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4,4-dimethylhex-5-enyl)benzene?
The IUPAC name of (3-methoxy-4,4-dimethylhex-5-enyl)benzene (CID 13449105) is (3-methoxy-4,4-dimethylhex-5-enyl)benzene.
What is the SMILES notation for (3-methoxy-4,4-dimethylhex-5-enyl)benzene?
The canonical SMILES for (3-methoxy-4,4-dimethylhex-5-enyl)benzene is C=CC(C)(C)C(CCc1ccccc1)OC.
What is the InChIKey of (3-methoxy-4,4-dimethylhex-5-enyl)benzene?
The InChIKey is YCBUFSISBONGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-15(2,3)14(16-4)12-11-13-9-7-6-8-10-13/h5-10,14H,1,11-12H2,2-4H3.
What are the key properties of (3-methoxy-4,4-dimethylhex-5-enyl)benzene?
(3-methoxy-4,4-dimethylhex-5-enyl)benzene has a molecular weight of 218.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4,4-dimethylhex-5-enyl)benzene is sourced from PubChem (CID 13449105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).