(4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol

C13H26O3 — CID 46844231

IUPAC(4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol
SMILESC=CC[C@@H](C[C@H](O)CCCCC)OCOC
InChIInChI=1S/C13H26O3/c1-4-6-7-9-12(14)10-13(8-5-2)16-11-15-3/h5,12-14H,2,4,6-11H2,1,3H3/t12-,13+/m1/s1
InChIKeyBVMSFTFQHVHALB-OLZOCXBDSA-N
MW230.35 g/mol
LogP2.88
Rot. Bonds11

About (4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol

(4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol (PubChem CID 46844231) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is (4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol.

Molecular Properties

Compound Name(4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol
PubChem CID46844231
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name(4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol
SMILESC=CC[C@@H](C[C@H](O)CCCCC)OCOC
InChIInChI=1S/C13H26O3/c1-4-6-7-9-12(14)10-13(8-5-2)16-11-15-3/h5,12-14H,2,4,6-11H2,1,3H3/t12-,13+/m1/s1
InChIKeyBVMSFTFQHVHALB-OLZOCXBDSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.88
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol?
The IUPAC name of (4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol (CID 46844231) is (4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol.
What is the SMILES notation for (4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol?
The canonical SMILES for (4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol is C=CC[C@@H](C[C@H](O)CCCCC)OCOC.
What is the InChIKey of (4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol?
The InChIKey is BVMSFTFQHVHALB-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H26O3/c1-4-6-7-9-12(14)10-13(8-5-2)16-11-15-3/h5,12-14H,2,4,6-11H2,1,3H3/t12-,13+/m1/s1.
What are the key properties of (4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol?
(4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol has a molecular weight of 230.35 g/mol, XLogP of 2.88, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-(methoxymethoxy)undec-1-en-6-ol is sourced from PubChem (CID 46844231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).