(2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol

C12H22O2 — CID 102376968

IUPAC(2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol
SMILESCOC[C@@H](O)C(C)=C=C(C)C(C)(C)C
InChIInChI=1S/C12H22O2/c1-9(11(13)8-14-6)7-10(2)12(3,4)5/h11,13H,8H2,1-6H3/t7?,11-/m1/s1
InChIKeyXWDVQNSTKZJUCZ-PLNQYNMKSA-N
MW198.31 g/mol
LogP2.53
Rot. Bonds3

About (2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol

(2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol (PubChem CID 102376968) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol.

Molecular Properties

Compound Name(2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol
PubChem CID102376968
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol
SMILESCOC[C@@H](O)C(C)=C=C(C)C(C)(C)C
InChIInChI=1S/C12H22O2/c1-9(11(13)8-14-6)7-10(2)12(3,4)5/h11,13H,8H2,1-6H3/t7?,11-/m1/s1
InChIKeyXWDVQNSTKZJUCZ-PLNQYNMKSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol?
The IUPAC name of (2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol (CID 102376968) is (2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol.
What is the SMILES notation for (2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol?
The canonical SMILES for (2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol is COC[C@@H](O)C(C)=C=C(C)C(C)(C)C.
What is the InChIKey of (2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol?
The InChIKey is XWDVQNSTKZJUCZ-PLNQYNMKSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(11(13)8-14-6)7-10(2)12(3,4)5/h11,13H,8H2,1-6H3/t7?,11-/m1/s1.
What are the key properties of (2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol?
(2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-3,5,6,6-tetramethylhepta-3,4-dien-2-ol is sourced from PubChem (CID 102376968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).