(5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol

C11H20O3 — CID 53483517

IUPAC(5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol
SMILESC=CC(O)C(C)(C)[C@H](C=C)OCOC
InChIInChI=1S/C11H20O3/c1-6-9(12)11(3,4)10(7-2)14-8-13-5/h6-7,9-10,12H,1-2,8H2,3-5H3/t9?,10-/m0/s1
InChIKeyXQSDWIHKMBLOJI-AXDSSHIGSA-N
MW200.28 g/mol
LogP1.73
Rot. Bonds7

About (5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol

(5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol (PubChem CID 53483517) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol.

Molecular Properties

Compound Name(5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol
PubChem CID53483517
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol
SMILESC=CC(O)C(C)(C)[C@H](C=C)OCOC
InChIInChI=1S/C11H20O3/c1-6-9(12)11(3,4)10(7-2)14-8-13-5/h6-7,9-10,12H,1-2,8H2,3-5H3/t9?,10-/m0/s1
InChIKeyXQSDWIHKMBLOJI-AXDSSHIGSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-4-(methoxymethoxy)hex-5-en-2-ol
CID 56834401
(3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol
CID 71601285
5-Hydroxy-4,4-dimethyl-1-methoxy-3-methoxymethyloxy-1-pentene
CID 129743421
(2R,4R)-4-(methoxymethoxy)hex-5-en-2-ol
CID 135022297
1-[5-(1-Hydroxyprop-2-enyl)-1,3-dioxan-5-yl]prop-2-en-1-ol
CID 66587700
1-(5-Prop-2-enyl-1,3-dioxan-5-yl)prop-2-en-1-ol
CID 66587713
1-(5-Methyl-1,3-dioxan-5-yl)prop-2-en-1-ol
CID 69730318
(2S,3R)-3-(methoxymethoxy)-2-methylpent-4-en-1-ol
CID 121380686
(4S)-4-(methoxymethoxy)-5,5-dimethylcyclopent-2-en-1-ol
CID 53483518
(5S)-5-methoxy-4,4-dimethylhepta-1,6-dien-3-ol
CID 101400374
(2R,3R)-3-(methoxymethoxy)-2-methylpent-4-en-1-ol
CID 129353592
(2R,3S)-3-(methoxymethoxy)-2-methylpent-4-en-1-ol
CID 129354158

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol?
The IUPAC name of (5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol (CID 53483517) is (5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol.
What is the SMILES notation for (5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol?
The canonical SMILES for (5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol is C=CC(O)C(C)(C)[C@H](C=C)OCOC.
What is the InChIKey of (5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol?
The InChIKey is XQSDWIHKMBLOJI-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-9(12)11(3,4)10(7-2)14-8-13-5/h6-7,9-10,12H,1-2,8H2,3-5H3/t9?,10-/m0/s1.
What are the key properties of (5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol?
(5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol has a molecular weight of 200.28 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethoxy)-4,4-dimethylhepta-1,6-dien-3-ol is sourced from PubChem (CID 53483517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).