tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate

C15H27NO3 — CID 155776271

IUPACtert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate
SMILESC=CCC(O)(CC=C)[C@H](CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-7-10-15(18,11-8-2)12(9-3)16-13(17)19-14(4,5)6/h7-8,12,18H,1-2,9-11H2,3-6H3,(H,16,17)/t12-/m0/s1
InChIKeyAQZBLZRUWJLSMS-LBPRGKRZSA-N
MW269.38 g/mol
LogP3.17
Rot. Bonds7

About tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate

tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate (PubChem CID 155776271) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate
PubChem CID155776271
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate
SMILESC=CCC(O)(CC=C)[C@H](CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-7-10-15(18,11-8-2)12(9-3)16-13(17)19-14(4,5)6/h7-8,12,18H,1-2,9-11H2,3-6H3,(H,16,17)/t12-/m0/s1
InChIKeyAQZBLZRUWJLSMS-LBPRGKRZSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-hydroxy-3,3-dimethylhex-5-en-2-yl]carbamate
CID 163276049
tert-butyl N-[(2S,3R)-3-hydroxy-3-methylhex-5-en-2-yl]carbamate
CID 58522437
tert-butyl N-(1-hydroxy-3-methoxy-3-methylhex-5-en-2-yl)carbamate
CID 20744613
tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate
CID 86601015
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 638722
tert-butyl N-[(3S,4S)-3-methyl-5-oxooct-7-en-4-yl]carbamate
CID 11807256
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
ethyl (3S)-2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 71742325
tert-butyl N-[(2S)-1-(but-3-enylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 121448498
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate (CID 155776271) is tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate is C=CCC(O)(CC=C)[C@H](CC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate?
The InChIKey is AQZBLZRUWJLSMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27NO3/c1-7-10-15(18,11-8-2)12(9-3)16-13(17)19-14(4,5)6/h7-8,12,18H,1-2,9-11H2,3-6H3,(H,16,17)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate?
tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate has a molecular weight of 269.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate is sourced from PubChem (CID 155776271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).