(2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol

C16H32O2 — CID 15709561

IUPAC(2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol
SMILESC=CC[C@H](CCCCCC)OC[C@@H](CO)C(C)C
InChIInChI=1S/C16H32O2/c1-5-7-8-9-11-16(10-6-2)18-13-15(12-17)14(3)4/h6,14-17H,2,5,7-13H2,1,3-4H3/t15-,16-/m1/s1
InChIKeyRJPLOTYDYJMARF-HZPDHXFCSA-N
MW256.43 g/mol
LogP4.18
Rot. Bonds12

About (2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol

(2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol (PubChem CID 15709561) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is (2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol
PubChem CID15709561
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name(2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol
SMILESC=CC[C@H](CCCCCC)OC[C@@H](CO)C(C)C
InChIInChI=1S/C16H32O2/c1-5-7-8-9-11-16(10-6-2)18-13-15(12-17)14(3)4/h6,14-17H,2,5,7-13H2,1,3-4H3/t15-,16-/m1/s1
InChIKeyRJPLOTYDYJMARF-HZPDHXFCSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
4-propan-2-ylnon-1-ene
CID 173177475
4-(methoxymethoxy)non-1-ene
CID 14592865
3-butoxyhex-5-en-1-ol
CID 90780016
4-ethenoxyundec-1-ene
CID 101420327
4-butan-2-ylheptadec-1-ene
CID 19792906
4-methoxynon-1-ene
CID 13284925
tributyl(dec-1-en-4-yloxymethyl)stannane
CID 71337213
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
3-prop-2-enyloctan-2-ol
CID 174661731
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
2-[2-hydroxy-3-(1-hydroxydodecan-2-yloxy)propoxy]dodecan-1-ol
CID 10411951

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol (CID 15709561) is (2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol is C=CC[C@H](CCCCCC)OC[C@@H](CO)C(C)C.
What is the InChIKey of (2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol?
The InChIKey is RJPLOTYDYJMARF-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H32O2/c1-5-7-8-9-11-16(10-6-2)18-13-15(12-17)14(3)4/h6,14-17H,2,5,7-13H2,1,3-4H3/t15-,16-/m1/s1.
What are the key properties of (2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol?
(2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 4.18, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol is sourced from PubChem (CID 15709561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).