(4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene

C26H52O7 — CID 46844562

IUPAC(4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene
SMILESC=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC)OC)OC)OC)OC)OC)OCOC
InChIInChI=1S/C26H52O7/c1-9-11-12-14-21(28-4)15-23(29-5)17-25(31-7)19-26(32-8)18-24(30-6)16-22(13-10-2)33-20-27-3/h10,21-26H,2,9,11-20H2,1,3-8H3/t21-,22+,23-,24+,25-,26+/m1/s1
InChIKeyHNBVOSAORJZJEO-RMPBONJYSA-N
MW476.70 g/mol
LogP5.16
Rot. Bonds24

About (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene

(4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene (PubChem CID 46844562) has the molecular formula C26H52O7 and a molecular weight of 476.70 g/mol. Its IUPAC name is (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene.

Molecular Properties

Compound Name(4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene
PubChem CID46844562
Molecular FormulaC26H52O7
Molecular Weight476.70 g/mol
Exact Mass476.37
IUPAC Name(4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene
SMILESC=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC)OC)OC)OC)OC)OC)OCOC
InChIInChI=1S/C26H52O7/c1-9-11-12-14-21(28-4)15-23(29-5)17-25(31-7)19-26(32-8)18-24(30-6)16-22(13-10-2)33-20-27-3/h10,21-26H,2,9,11-20H2,1,3-8H3/t21-,22+,23-,24+,25-,26+/m1/s1
InChIKeyHNBVOSAORJZJEO-RMPBONJYSA-N
XLogP5.16
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.70
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene with MolForge

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Related Compounds

4-(methoxymethoxy)non-1-ene
CID 14592865
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
4-methoxynon-1-ene
CID 13284925
(4S,6R)-6-methoxydodec-1-en-4-ol
CID 11095973
4-ethenoxyundec-1-ene
CID 101420327
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
4,6,8,10,12,14,16-heptamethoxy-17-methyltricosa-1,17-diene
CID 73090780
(4S,6S,8S,10S,12S,14S,16S,17E)-4,6,8,10,12,14,16-heptamethoxy-17-methyltricosa-1,17-diene
CID 11763299
(5S)-5-methoxyundecane
CID 118889956
4-methoxy-2-methyltridecane
CID 150137637
tributyl(dec-1-en-4-yloxymethyl)stannane
CID 71337213

Frequently Asked Questions

What is the IUPAC name of (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene?
The IUPAC name of (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene (CID 46844562) is (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene.
What is the SMILES notation for (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene?
The canonical SMILES for (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene is C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC)OC)OC)OC)OC)OC)OCOC.
What is the InChIKey of (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene?
The InChIKey is HNBVOSAORJZJEO-RMPBONJYSA-N. The full InChI is InChI=1S/C26H52O7/c1-9-11-12-14-21(28-4)15-23(29-5)17-25(31-7)19-26(32-8)18-24(30-6)16-22(13-10-2)33-20-27-3/h10,21-26H,2,9,11-20H2,1,3-8H3/t21-,22+,23-,24+,25-,26+/m1/s1.
What are the key properties of (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene?
(4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene has a molecular weight of 476.70 g/mol, XLogP of 5.16, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene is sourced from PubChem (CID 46844562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).