[(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol

C16H28O2 — CID 67805506

IUPAC[(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol
SMILESCCCCCCC/C=C/[C@@H]1OC[C@H](C)C=C1CO
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-16-15(12-17)11-14(2)13-18-16/h9-11,14,16-17H,3-8,12-13H2,1-2H3/b10-9+/t14-,16+/m1/s1
InChIKeyBKZCVZOJFQPLHZ-MVHLYKQMSA-N
MW252.40 g/mol
LogP3.86
Rot. Bonds8

About [(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol

[(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol (PubChem CID 67805506) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol.

Molecular Properties

Compound Name[(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol
PubChem CID67805506
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol
SMILESCCCCCCC/C=C/[C@@H]1OC[C@H](C)C=C1CO
InChIInChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-16-15(12-17)11-14(2)13-18-16/h9-11,14,16-17H,3-8,12-13H2,1-2H3/b10-9+/t14-,16+/m1/s1
InChIKeyBKZCVZOJFQPLHZ-MVHLYKQMSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.86
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

3-oct-1-enyloxiran-2-one
CID 90850629
2-[(E)-undec-1-enyl]-1,3-dioxolane
CID 170873891
(4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one
CID 11389786
[(1S,5R,7S)-7-[(E)-hept-1-enyl]-6,8-dioxabicyclo[3.2.1]oct-2-en-3-yl]methanol
CID 24754709
(2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol
CID 67805624
(3R)-3-[(E)-oct-1-enyl]cyclopenten-1-ol
CID 134894559
(1aR,2R,3R,6R,6aS)-3-[(E)-dec-1-enyl]-1a,2,3,5,6,6a-hexahydrooxireno[2,3-f][2]benzofuran-2,6-diol
CID 146684226
3-[(Z)-tridec-1-enyl]oxetane-2,4-dione
CID 156873685
4-[5-[(E)-dec-1-enyl]-1,3-dioxan-2-yl]-1-ethylpyridin-1-ium
CID 101100878
2-nonadec-10-enyloxirane
CID 54194145
3,4-bis(henicos-1-enyl)oxolane-2,5-dione
CID 139774485
5-[(E)-non-1-enyl]cyclopenta-1,3-diene
CID 15399897

Frequently Asked Questions

What is the IUPAC name of [(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol?
The IUPAC name of [(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol (CID 67805506) is [(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol.
What is the SMILES notation for [(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol?
The canonical SMILES for [(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol is CCCCCCC/C=C/[C@@H]1OC[C@H](C)C=C1CO.
What is the InChIKey of [(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol?
The InChIKey is BKZCVZOJFQPLHZ-MVHLYKQMSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-16-15(12-17)11-14(2)13-18-16/h9-11,14,16-17H,3-8,12-13H2,1-2H3/b10-9+/t14-,16+/m1/s1.
What are the key properties of [(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol?
[(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol has a molecular weight of 252.40 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol is sourced from PubChem (CID 67805506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).