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

C10H18O3 — CID 129322527

IUPAC(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol
SMILESC=C[C@H](OCOC)[C@@H](O)C=C(C)C
InChIInChI=1S/C10H18O3/c1-5-10(13-7-12-4)9(11)6-8(2)3/h5-6,9-11H,1,7H2,2-4H3/t9-,10-/m0/s1
InChIKeyWPSVDMUPMQPZPG-UWVGGRQHSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds6

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

(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol (PubChem CID 129322527) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol
PubChem CID129322527
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol
SMILESC=C[C@H](OCOC)[C@@H](O)C=C(C)C
InChIInChI=1S/C10H18O3/c1-5-10(13-7-12-4)9(11)6-8(2)3/h5-6,9-11H,1,7H2,2-4H3/t9-,10-/m0/s1
InChIKeyWPSVDMUPMQPZPG-UWVGGRQHSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
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,3S,6S)-2-(hydroxymethyl)-6-isopentyloxy-3,6-dihydro-2H-pyran-3-ol
CID 54580323
2H-Pyran-2-methanol, 3,6-dihydro-3-hydroxy-6-(1-methylethoxy)-
CID 546113
(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11008031
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
2-Methoxy-(Eugenol)
CID 22461333
3,4-Dimethoxy-4-hydroxybenzyl alcohol
CID 70626755
(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 10466332
(5E)-3,3-diethoxynona-1,5-dien-4-ol
CID 10704552
(2S,3R,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11126390
(5E)-3-(methoxymethoxy)hepta-1,5-dien-4-ol
CID 13025036
(E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol
CID 16756593

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol?
The IUPAC name of (3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol (CID 129322527) is (3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol.
What is the SMILES notation for (3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol?
The canonical SMILES for (3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol is C=C[C@H](OCOC)[C@@H](O)C=C(C)C.
What is the InChIKey of (3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol?
The InChIKey is WPSVDMUPMQPZPG-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-10(13-7-12-4)9(11)6-8(2)3/h5-6,9-11H,1,7H2,2-4H3/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol?
(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol has a molecular weight of 186.25 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol is sourced from PubChem (CID 129322527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).