(3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol

C9H18O5 — CID 10488486

IUPAC(3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol
SMILESC=C[C@@H](O)[C@@H](COCOC)OCOC
InChIInChI=1S/C9H18O5/c1-4-8(10)9(14-7-12-3)5-13-6-11-2/h4,8-10H,1,5-7H2,2-3H3/t8-,9-/m1/s1
InChIKeyIFSGRLIYVMSQNC-RKDXNWHRSA-N
MW206.24 g/mol
LogP0.14
Rot. Bonds9

About (3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol

(3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol (PubChem CID 10488486) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol
PubChem CID10488486
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol
SMILESC=C[C@@H](O)[C@@H](COCOC)OCOC
InChIInChI=1S/C9H18O5/c1-4-8(10)9(14-7-12-3)5-13-6-11-2/h4,8-10H,1,5-7H2,2-3H3/t8-,9-/m1/s1
InChIKeyIFSGRLIYVMSQNC-RKDXNWHRSA-N
XLogP0.14
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
4,4-Difluoro-5-(2-methoxyethoxymethoxy)hexa-1,5-dien-3-ol
CID 10705071
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10583056
4-Penten-2-ol, 3-[(2-methoxyethoxy)methoxy]-, (2S,3S)-
CID 11424055
1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 10419437
1-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 10920779
1,2-Dideoxy-4,5-O-(1-methylethylidene)pent-1-enitol
CID 13723233
1,2-Dideoxy-4,5-O-(1-methylethylidene)-D-erythro-pent-1-enitol
CID 11094894
3-Hydroxy-4-pentenal diethyl acetal
CID 12754313
4-(Methoxymethoxy)hex-5-en-3-ol
CID 12916897
(1R,1'R)-1,1'-((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(prop-2-en-1-ol)
CID 12966926
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 13723234

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol?
The IUPAC name of (3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol (CID 10488486) is (3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol.
What is the SMILES notation for (3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol?
The canonical SMILES for (3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol is C=C[C@@H](O)[C@@H](COCOC)OCOC.
What is the InChIKey of (3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol?
The InChIKey is IFSGRLIYVMSQNC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O5/c1-4-8(10)9(14-7-12-3)5-13-6-11-2/h4,8-10H,1,5-7H2,2-3H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol?
(3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol has a molecular weight of 206.24 g/mol, XLogP of 0.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol is sourced from PubChem (CID 10488486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).