(3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol

C12H22O3 — CID 59063188

IUPAC(3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol
SMILESCOCOCCCCC#C[C@@H](O)C(C)C
InChIInChI=1S/C12H22O3/c1-11(2)12(13)8-6-4-5-7-9-15-10-14-3/h11-13H,4-5,7,9-10H2,1-3H3/t12-/m1/s1
InChIKeySRJOOEULJKJPAH-GFCCVEGCSA-N
MW214.30 g/mol
LogP1.80
Rot. Bonds7

About (3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol

(3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol (PubChem CID 59063188) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol.

Molecular Properties

Compound Name(3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol
PubChem CID59063188
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol
SMILESCOCOCCCCC#C[C@@H](O)C(C)C
InChIInChI=1S/C12H22O3/c1-11(2)12(13)8-6-4-5-7-9-15-10-14-3/h11-13H,4-5,7,9-10H2,1-3H3/t12-/m1/s1
InChIKeySRJOOEULJKJPAH-GFCCVEGCSA-N
XLogP1.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(methoxymethoxy)hept-5-yn-2-ol
CID 138970081
6-Ethoxy-4-(methoxymethoxy)hex-5-yn-1-ol
CID 85699195
1-Cyclopropyl-4,4-diethoxybut-2-yn-1-ol
CID 121218972
2,2-Dimethyl-3-methoxymethyloxy-5-hexyn-1-ol
CID 129743219
6-(Methoxymethoxy)hex-1-yn-3-ol
CID 138967847
[(1R,2S)-2-(3,3-diethoxyprop-1-ynyl)cyclopropyl]methanol
CID 101787986
7,7-Diethoxy-5-heptyn-4-OL
CID 102064408
6,6-Diethoxy-2-methyl-hex-4-yn-3-ol
CID 13066061
6-Ethoxy-6-methoxy-2-methylhex-4-yn-3-ol
CID 123220880
7-Ethyl-9-[(3-ethyl-9-hydroxynon-4-ynoxy)methoxymethoxy]non-5-yn-1-ol
CID 163287717
9-[(9-Hydroxy-3-methylnon-4-ynoxy)methoxymethoxy]-7-methylnon-5-yn-1-ol
CID 163287948
6-(Pentoxymethoxy)hex-3-yn-1-ol
CID 164728484

Frequently Asked Questions

What is the IUPAC name of (3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol?
The IUPAC name of (3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol (CID 59063188) is (3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol.
What is the SMILES notation for (3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol?
The canonical SMILES for (3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol is COCOCCCCC#C[C@@H](O)C(C)C.
What is the InChIKey of (3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol?
The InChIKey is SRJOOEULJKJPAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2)12(13)8-6-4-5-7-9-15-10-14-3/h11-13H,4-5,7,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol?
(3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol has a molecular weight of 214.30 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol is sourced from PubChem (CID 59063188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).