(1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene

C15H20O — CID 12596338

IUPAC(1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene
SMILESCC=C=C(c1ccccc1)C(C)(C)COC
InChIInChI=1S/C15H20O/c1-5-9-14(15(2,3)12-16-4)13-10-7-6-8-11-13/h5-8,10-11H,12H2,1-4H3
InChIKeyMRWQGNZRMLFBGN-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.92
Rot. Bonds4

About (1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene

(1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene (PubChem CID 12596338) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene.

Molecular Properties

Compound Name(1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene
PubChem CID12596338
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene
SMILESCC=C=C(c1ccccc1)C(C)(C)COC
InChIInChI=1S/C15H20O/c1-5-9-14(15(2,3)12-16-4)13-10-7-6-8-11-13/h5-8,10-11H,12H2,1-4H3
InChIKeyMRWQGNZRMLFBGN-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene?
The IUPAC name of (1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene (CID 12596338) is (1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene.
What is the SMILES notation for (1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene?
The canonical SMILES for (1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene is CC=C=C(c1ccccc1)C(C)(C)COC.
What is the InChIKey of (1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene?
The InChIKey is MRWQGNZRMLFBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-5-9-14(15(2,3)12-16-4)13-10-7-6-8-11-13/h5-8,10-11H,12H2,1-4H3.
What are the key properties of (1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene?
(1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene has a molecular weight of 216.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2,2-dimethylhexa-3,4-dien-3-yl)benzene is sourced from PubChem (CID 12596338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).